ethyl (3R)-1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(E)-3-(4-dimethylaminophenyl)allyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(E)-3-(4-dimethylaminophenyl)allyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC=CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O2/c1-4-23-19(22)17-8-6-14-21(15-17)13-5-7-16-9-11-18(12-10-16)20(2)3/h5,7,9-12,17H,4,6,8,13-15H2,1-3H3/p+1/b7-5+/t17-/m1/s1