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

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2/c30-25(12-11-21-7-3-1-4-8-21)29-17-13-23(14-18-29)26(31)27-24-15-16-28(20-24)19-22-9-5-2-6-10-22/h1-12,23-24H,13-20H2,(H,27,31)/p+1/b12-11+/t24-/m0/s1