2,2-diphenyl-4-piperidin-1-yl-butanoic acid; hydrogen sulfate

Systemtic Name: 2,2-diphenyl-4-piperidin-1-yl-butanoic acid; hydrogen sulfate Openeye Name: 2,2-diphenyl-4-(1-piperidyl)butanoic acid; hydrogen sulfate CAS Name: 2,2-diphenyl-4-(1-piperidinyl)butanoic acid; hydrogen sulfate IUPAC Name: 2,2-diphenyl-4-piperidin-1-ylbutanoic acid; hydrogen sulfate Traditional Name: 2,2-diphenyl-4-piperidino-butyric acid bisulfate Formula: C21H26NO6S- MolecularWeight: 420.49924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.OS(=O)(=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C21H25NO2.H2O4S/c23-20(24)21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-22-15-8-3-9-16-22;1-5(2,3)4/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,23,24);(H2,1,2,3,4)/p-1