N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-tosyl-isonipecotamide Formula: C25H35N4O3S+ MolecularWeight: 471.6354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C25H34N4O3S/c1-19-4-7-23(8-5-19)33(31,32)29-12-10-21(11-13-29)25(30)26-22-6-9-24(20(2)18-22)28-16-14-27(3)15-17-28/h4-9,18,21H,10-17H2,1-3H3,(H,26,30)/p+1