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

Systemtic Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(E)-cinnamyl]-4-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-methoxyphenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(E)-cinnamyl]-4-m-anisyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H32NO3+ MolecularWeight: 394.52648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC=CC2=CC=CC=C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C/C=C/C2=CC=CC=C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C25H31NO3/c1-3-29-24(27)25(20-22-11-7-13-23(19-22)28-2)14-17-26(18-15-25)16-8-12-21-9-5-4-6-10-21/h4-13,19H,3,14-18,20H2,1-2H3/p+1/b12-8+