TI4

(2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane

Created:	2015-06-01
Last modified:	2015-06-24

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1 entries where TI4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	3
Bond Count	37
Aromatic Bond Count	6

2D diagram of TI4

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Chemical Component Summary
Name	(2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₄ H₁₈ N₂
Molecular Weight	214.306
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(cnc1)C2N3CC4CC2CC(C3)C4
SMILES	CACTVS	3.385	C1[CH]2CC3C[CH]1CN(C2)[CH]3c4cccnc4
SMILES	OpenEye OEToolkits	1.9.2	c1cc(cnc1)C2C3CC4CC(C3)CN2C4
Canonical SMILES	CACTVS	3.385	C1[C@@H]2CC3C[C@H]1CN(C2)[C@H]3c4cccnc4
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(cnc1)[C@H]2C3C[C@H]4C[C@@H](C3)CN2C4
InChI	InChI	1.03	InChI=1S/C14H18N2/c1-2-12(7-15-3-1)14-13-5-10-4-11(6-13)9-16(14)8-10/h1-3,7,10-11,13-14H,4-6,8-9H2/t10-,11+,13-,14-/m0/s1
InChIKey	InChI	1.03	INDYXBQOPZTSTJ-XCCSTKFXSA-N

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