3,3-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol; methanesulfonate

Systemtic Name: 3,3-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol; methanesulfonate Openeye Name: 3,3-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol; methanesulfonate CAS Name: 3,3-diphenyl-3-(1-piperidin-1-iumyl)-1-propanol; methanesulfonate IUPAC Name: 3,3-diphenyl-3-piperidin-1-ium-1-ylpropan-1-ol; methanesulfonate Traditional Name: 3,3-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol mesylate Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1CC[NH+](CC1)C(CCO)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)[O-].C1CC[NH+](CC1)C(CCO)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H25NO.CH4O3S/c22-17-14-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)21-15-8-3-9-16-21;1-5(2,3)4/h1-2,4-7,10-13,22H,3,8-9,14-17H2;1H3,(H,2,3,4)