ethyl (3S)-1-cyclobutyl-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-cyclobutyl-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-cyclobutyl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-cyclobutyl-3-[(E)-3-phenylprop-2-enyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-cyclobutyl-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-cyclobutyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H30NO2+ MolecularWeight: 328.4684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)C2CCC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)C2CCC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H29NO2/c1-2-24-20(23)21(14-7-11-18-9-4-3-5-10-18)15-8-16-22(17-21)19-12-6-13-19/h3-5,7,9-11,19H,2,6,8,12-17H2,1H3/p+1/b11-7+/t21-/m1/s1