(1-butylpiperidin-1-ium-4-yl) 2,2-diphenylethanoate chloride

Systemtic Name: (1-butylpiperidin-1-ium-4-yl) 2,2-diphenylethanoate chloride Openeye Name: (1-butylpiperidin-1-ium-4-yl) 2,2-diphenylacetate chloride CAS Name: 2,2-diphenylacetic acid (1-butyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1-butylpiperidin-1-ium-4-yl) 2,2-diphenylacetate chloride Traditional Name: 2,2-diphenylacetic acid (1-butylpiperidin-1-ium-4-yl) ester chloride Formula: C23H30ClNO2 MolecularWeight: 387.9428

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCC[NH+]1CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C23H29NO2.ClH/c1-2-3-16-24-17-14-21(15-18-24)26-23(25)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;/h4-13,21-22H,2-3,14-18H2,1H3;1H