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

Systemtic Name: ethyl (3S)-3-[(E)-3-phenylprop-2-enyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-[(E)-3-phenylprop-2-enyl]-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(E)-3-phenylprop-2-enyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-[(1-isopropylpyrazol-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:

CCOC(=O)C1(CCC[NH+](C1)CC2=CN(N=C2)C(C)C)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CN(N=C2)C(C)C)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C24H33N3O2/c1-4-29-23(28)24(13-8-12-21-10-6-5-7-11-21)14-9-15-26(19-24)17-22-16-25-27(18-22)20(2)3/h5-8,10-12,16,18,20H,4,9,13-15,17,19H2,1-3H3/p+1/b12-8+/t24-/m1/s1