ethyl 1-phenacyl-4-phenyl-piperidin-1-ium-4-carboxylate chloride

Systemtic Name: ethyl 1-phenacyl-4-phenyl-piperidin-1-ium-4-carboxylate chloride Openeye Name: ethyl 1-phenacyl-4-phenyl-piperidin-1-ium-4-carboxylate chloride CAS Name: 1-phenacyl-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-phenacyl-4-phenylpiperidin-1-ium-4-carboxylate chloride Traditional Name: 1-phenacyl-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester chloride Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC(=O)C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC(=O)C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H25NO3.ClH/c1-2-26-21(25)22(19-11-7-4-8-12-19)13-15-23(16-14-22)17-20(24)18-9-5-3-6-10-18;/h3-12H,2,13-17H2,1H3;1H