1-piperidin-1-ium-1-ylpropan-2-yl 2,2-diphenylethanoate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl 2,2-diphenylethanoate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) 2,2-diphenylacetate chloride CAS Name: 2,2-diphenylacetic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl 2,2-diphenylacetate chloride Traditional Name: 2,2-diphenylacetic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C22H28ClNO2 MolecularWeight: 373.91622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H27NO2.ClH/c1-18(17-23-15-9-4-10-16-23)25-22(24)21(19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2-3,5-8,11-14,18,21H,4,9-10,15-17H2,1H3;1H