AJK

(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium

Created:	2017-08-21
Last modified:	2018-02-28

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1 entries where AJK is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	42
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	17

2D diagram of AJK

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Chemical Component Summary
Name	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium
Systematic Name (OpenEye OEToolkits)	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium
Formula	C₁₉ H₂₀ Cl N₂
Molecular Weight	311.829
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1cc(C[NH2+]CCc2[nH]ccc2)ccc1c3ccccc3
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3ccc[nH]3
Canonical SMILES	CACTVS	3.385	Clc1cc(C[NH2+]CCc2[nH]ccc2)ccc1c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3ccc[nH]3
InChI	InChI	1.03	InChI=1S/C19H19ClN2/c20-19-13-15(14-21-12-10-17-7-4-11-22-17)8-9-18(19)16-5-2-1-3-6-16/h1-9,11,13,21-22H,10,12,14H2/p+1
InChIKey	InChI	1.03	FMSBSBFLDMDDLK-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	137348928

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