[3-[3,4-dimethyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]phenyl] 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: [3-[3,4-dimethyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]phenyl] 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: [3-[1-[(E)-cinnamyl]-3,4-dimethyl-4-piperidyl]phenyl] 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid [3-[3,4-dimethyl-1-[(E)-3-phenylprop-2-enyl]-4-piperidinyl]phenyl] ester IUPAC Name: [3-[3,4-dimethyl-1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]phenyl] 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid [3-[1-[(E)-cinnamyl]-3,4-dimethyl-4-piperidyl]phenyl] ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=CC=C2)OC(=O)C3=C[N+](=CC=C3)[O-])CC=CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCC1(C)C2=CC(=CC=C2)OC(=O)C3=C[N+](=CC=C3)[O-])C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3/c1-22-20-29(16-7-11-23-9-4-3-5-10-23)18-15-28(22,2)25-13-6-14-26(19-25)33-27(31)24-12-8-17-30(32)21-24/h3-14,17,19,21-22H,15-16,18,20H2,1-2H3/b11-7+