1-[(E)-2-phenylethenyl]sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-[(E)-2-phenylethenyl]sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-2-phenylethenyl]sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C26H34N3O3S+ MolecularWeight: 468.63146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O3S/c30-26(27-20-24-10-4-5-11-25(24)21-28-15-6-7-16-28)23-12-17-29(18-13-23)33(31,32)19-14-22-8-2-1-3-9-22/h1-5,8-11,14,19,23H,6-7,12-13,15-18,20-21H2,(H,27,30)/p+1/b19-14+