E1N

Summary

Name:	12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium
Formula:	C19 H22 Cl N2
Formal charge:	1
Formula weight:	313.844 Da
Component type:	NON-POLYMER
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C19H21ClN2/c1-3-11-6-12-8-13(7-11)18-17(9-12)22(2)16-10-14(20)4-5-15(16)19(18)21/h4-6,10,12-13,21H,3,7-9H2,1-2H3/p+1/t12-,13+/m0/s1
InChIKey	InChI	1.03	UDYIKCNLONGUCX-QWHCGFSZSA-O
SMILES_CANONICAL	CACTVS	3.385	CCC1=C[C@H]2C[C@@H](C1)c3c(N)c4ccc(Cl)cc4[n+](C)c3C2
SMILES	CACTVS	3.385	CCC1=C[CH]2C[CH](C1)c3c(N)c4ccc(Cl)cc4[n+](C)c3C2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4[n+]3C)Cl)N)[C@@H](C2)C1
SMILES	OpenEye OEToolkits	2.0.6	CCC1=CC2Cc3c(c(c4ccc(cc4[n+]3C)Cl)N)C(C2)C1