1-[(E)-3-phenylprop-2-enoyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-phenylprop-2-enoyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-[(E)-3-phenylprop-2-enoyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-phenylprop-2-enoyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-[(E)-3-phenylacryloyl]-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]isonipecotamide Formula: C27H34N3O2+ MolecularWeight: 432.57776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O2/c31-26(13-12-22-8-2-1-3-9-22)30-18-14-23(15-19-30)27(32)28-20-24-10-4-5-11-25(24)21-29-16-6-7-17-29/h1-5,8-13,23H,6-7,14-21H2,(H,28,32)/p+1/b13-12+