H19

huprine 19

Created:	2017-10-15
Last modified:	2017-12-13

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1 entries where H19 is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	43
Chiral Atom Count	2
Bond Count	46
Aromatic Bond Count	11

2D diagram of H19

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Chemical Component Summary
Name	huprine 19
Formula	C₁₈ H₂₁ Cl N₃
Molecular Weight	314.832
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1c2ccc(Cl)cc2nc3C[CH]4C[CH](C=C(CC[NH3+])C4)c13
SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc1Cl)nc3c(c2N)C4CC(C3)CC(=C4)CC[NH3+]
Canonical SMILES	CACTVS	3.385	Nc1c2ccc(Cl)cc2nc3C[C@H]4C[C@H](C=C(CC[NH3+])C4)c13
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc1Cl)nc3c(c2N)[C@@H]4C[C@H](C3)CC(=C4)CC[NH3+]
InChI	InChI	1.03	InChI=1S/C18H20ClN3/c19-13-1-2-14-15(9-13)22-16-8-11-5-10(3-4-20)6-12(7-11)17(16)18(14)21/h1-2,6,9,11-12H,3-5,7-8,20H2,(H2,21,22)/p+1/t11-,12+/m1/s1
InChIKey	InChI	1.03	JBGUOIGXEREJEV-NEPJUHHUSA-O

Related Resource References

Resource Name	Reference
PubChem	137349474

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