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

Systemtic Name: ethyl 3-phenyl-1-(phenylmethyl)piperidin-1-ium-4-carboxylate chloride Openeye Name: ethyl 1-benzyl-3-phenyl-piperidin-1-ium-4-carboxylate chloride CAS Name: 3-phenyl-1-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-benzyl-3-phenylpiperidin-1-ium-4-carboxylate chloride Traditional Name: 1-benzyl-3-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester chloride Formula: C21H26ClNO2 MolecularWeight: 359.88964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1C2=CC=CC=C2)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1C2=CC=CC=C2)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H25NO2.ClH/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;1H