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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC=CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C/C=C/C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C19H28N2O2/c1-4-23-19(22)17-11-14-21(15-12-17)13-5-6-16-7-9-18(10-8-16)20(2)3/h5-10,17H,4,11-15H2,1-3H3/p+1/b6-5+