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

Systemtic Name: ethyl (3S)-1-[(1-ethylimidazol-2-yl)methyl]-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1-ethyl-2-imidazolyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1-ethylimidazol-2-yl)methyl]-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCCC(C2)(CC=CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC[C@@](C2)(C/C=C/C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H31N3O2/c1-3-26-17-15-24-21(26)18-25-16-9-14-23(19-25,22(27)28-4-2)13-8-12-20-10-6-5-7-11-20/h5-8,10-12,15,17H,3-4,9,13-14,16,18-19H2,1-2H3/p+1/b12-8+/t23-/m1/s1