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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C29H38N3O3+ MolecularWeight: 476.63032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C29H37N3O3/c1-35-26-13-11-24(12-14-26)27(31-18-6-3-7-19-31)22-30-29(34)25-16-20-32(21-17-25)28(33)15-10-23-8-4-2-5-9-23/h2,4-5,8-15,25,27H,3,6-7,16-22H2,1H3,(H,30,34)/p+1/b15-10+/t27-/m0/s1