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

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C27H34N3O2+ MolecularWeight: 432.57776

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O2/c31-26(12-11-22-7-3-1-4-8-22)30-19-13-24(14-20-30)27(32)28-25-15-17-29(18-16-25)21-23-9-5-2-6-10-23/h1-12,24-25H,13-21H2,(H,28,32)/p+1/b12-11+