1-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]piperidine-4-carboxamide Openeye Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]piperidine-4-carboxamide Traditional Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-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)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H34N4O3S/c1-21-7-9-24(10-8-21)33(31,32)29-14-11-22(12-15-29)25(30)26-13-16-27-17-19-28(20-18-27)23-5-3-2-4-6-23/h2-10,22H,11-20H2,1H3,(H,26,30)/p+1