1-(4-ethanoylphenyl)sulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-ethanoylphenyl)sulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]isonipecotamide Formula: C27H36N3O4S+ MolecularWeight: 498.65744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4

InChI

InChI=1S/C27H35N3O4S/c1-21(31)22-9-11-26(12-10-22)35(33,34)30-17-13-23(14-18-30)27(32)28-19-24-7-3-4-8-25(24)20-29-15-5-2-6-16-29/h3-4,7-12,23H,2,5-6,13-20H2,1H3,(H,28,32)/p+1