ethyl (3S)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]nipecotic acid ethyl ester Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=[N+](C=CN2)C)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=[N+](C=CN2)C)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2/c1-3-27-21(26)22(12-7-11-19-9-5-4-6-10-19)13-8-15-25(18-22)17-20-23-14-16-24(20)2/h4-7,9-11,14,16H,3,8,12-13,15,17-18H2,1-2H3/p+1/b11-7+/t22-/m1/s1