3-(2-methylpiperidin-1-ium-1-yl)propyl 2,2-diphenylethanoate chloride

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 2,2-diphenylethanoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 2,2-diphenylacetate chloride CAS Name: 2,2-diphenylacetic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 2,2-diphenylacetate chloride Traditional Name: 2,2-diphenylacetic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C23H30ClNO2 MolecularWeight: 387.9428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1CCCC[NH+]1CCCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H29NO2.ClH/c1-19-11-8-9-16-24(19)17-10-18-26-23(25)22(20-12-4-2-5-13-20)21-14-6-3-7-15-21;/h2-7,12-15,19,22H,8-11,16-18H2,1H3;1H