ethyl 1-[(3-aminocarbonylphenyl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-aminocarbonylphenyl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-carbamoylphenyl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-carbamoylphenyl)methyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-carbamoylphenyl)methyl]-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-(3-carbamoylbenzyl)-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H27N2O3+ MolecularWeight: 367.46138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC(=C2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CC(=C2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/c1-2-27-21(26)22(19-9-4-3-5-10-19)11-13-24(14-12-22)16-17-7-6-8-18(15-17)20(23)25/h3-10,15H,2,11-14,16H2,1H3,(H2,23,25)/p+1