N-(3-chloranyl-4-methyl-phenyl)-2-[1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclopentyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclopentyl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[1-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]cyclopentyl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]cyclopentyl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[1-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]cyclopentyl]acetamide Formula: C25H32ClN4O2+ MolecularWeight: 456.00018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2(CCCC2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2(CCCC2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)Cl

InChI

InChI=1S/C25H31ClN4O2/c1-19-7-8-20(16-21(19)26)28-23(31)17-25(9-3-4-10-25)18-24(32)30-14-12-29(13-15-30)22-6-2-5-11-27-22/h2,5-8,11,16H,3-4,9-10,12-15,17-18H2,1H3,(H,28,31)/p+1