ethyl (3S,4S)-3-phenyl-1-(phenylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl (3S,4S)-3-phenyl-1-(phenylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl (3S,4S)-1-benzyl-3-phenyl-piperidin-1-ium-4-carboxylate CAS Name: (3S,4S)-3-phenyl-1-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S,4S)-1-benzyl-3-phenylpiperidin-1-ium-4-carboxylate Traditional Name: (3S,4S)-1-benzyl-3-phenyl-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+](CC1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CC[NH+](C[C@@H]1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25NO2/c1-2-24-21(23)19-13-14-22(15-17-9-5-3-6-10-17)16-20(19)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3/p+1/t19-,20+/m0/s1