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Summary

Name:	3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline
Formula:	C17 H24 Cl N5
Formal charge:	2
Formula weight:	333.859 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C17H22ClN5/c18-15-12-13-11-14(22-7-3-19-4-8-22)1-2-16(13)21-17(15)23-9-5-20-6-10-23/h1-2,11-12,19-20H,3-10H2/p+2
InChIKey	InChI	1.06	WOZFYSNOHHYUAU-UHFFFAOYSA-P
SMILES_CANONICAL	CACTVS	3.385	Clc1cc2cc(ccc2nc1N3CC[NH2+]CC3)N4CC[NH2+]CC4
SMILES	CACTVS	3.385	Clc1cc2cc(ccc2nc1N3CC[NH2+]CC3)N4CC[NH2+]CC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c(cc1N3CC[NH2+]CC3)cc(c(n2)N4CC[NH2+]CC4)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1N3CC[NH2+]CC3)cc(c(n2)N4CC[NH2+]CC4)Cl

249697

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