N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-o-toluoyl-isonipecotamide Formula: C25H32ClN4O2+ MolecularWeight: 456.00018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)N4CC[NH+](CC4)C

InChI

InChI=1S/C25H31ClN4O2/c1-18-5-3-4-6-21(18)25(32)30-11-9-19(10-12-30)24(31)27-22-17-20(26)7-8-23(22)29-15-13-28(2)14-16-29/h3-8,17,19H,9-16H2,1-2H3,(H,27,31)/p+1