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

Systemtic Name: 1-(2-methylphenyl)carbonyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(2-methylbenzoyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(2-methylphenyl)-oxomethyl]-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methylbenzoyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-4-carboxamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-o-toluoyl-isonipecotamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O2/c1-19-5-3-4-6-23(19)25(31)29-13-11-20(12-14-29)24(30)26-21-7-9-22(10-8-21)28-17-15-27(2)16-18-28/h3-10,20H,11-18H2,1-2H3,(H,26,30)/p+1