1-[(E)-3-phenylprop-2-enoyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[(E)-3-phenylprop-2-enoyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]piperidine-4-carboxamide Openeye Name: 1-[(E)-3-phenylprop-2-enoyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]piperidine-4-carboxamide CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[(E)-3-phenylprop-2-enoyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]piperidine-4-carboxamide Traditional Name: 1-[(E)-3-phenylacryloyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]isonipecotamide Formula: C27H40N3O2+ MolecularWeight: 438.6254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C27H39N3O2/c31-25(13-12-23-10-4-1-5-11-23)29-20-14-24(15-21-29)26(32)28-22-27(16-6-2-7-17-27)30-18-8-3-9-19-30/h1,4-5,10-13,24H,2-3,6-9,14-22H2,(H,28,32)/p+1/b13-12+