ethyl (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-3-[(E)-3-phenylprop-2-enyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCCC(C2)(CC=CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCC[C@@](C2)(C/C=C/C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H33N3O2/c1-4-27-18-22(20(3)25-27)17-26-16-10-15-24(19-26,23(28)29-5-2)14-9-13-21-11-7-6-8-12-21/h6-9,11-13,18H,4-5,10,14-17,19H2,1-3H3/p+1/b13-9+/t24-/m1/s1