ethyl 1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-phenylphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-phenylbenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H26NO2+ MolecularWeight: 324.43664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO2/c1-2-24-21(23)20-12-14-22(15-13-20)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,20H,2,12-16H2,1H3/p+1