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

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl 2,2-diphenylpropanoate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) 2,2-diphenylpropanoate chloride CAS Name: 2,2-diphenylpropanoic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl 2,2-diphenylpropanoate chloride Traditional Name: 2,2-diphenylpropionic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C23H30ClNO2 MolecularWeight: 387.9428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO2.ClH/c1-19(18-24-16-10-5-11-17-24)26-22(25)23(2,20-12-6-3-7-13-20)21-14-8-4-9-15-21;/h3-4,6-9,12-15,19H,5,10-11,16-18H2,1-2H3;1H