(1-methylpyrrolidin-1-ium-2-yl)methyl 2,2-diphenyl-2-phenylmethoxy-ethanoate chloride

Systemtic Name: (1-methylpyrrolidin-1-ium-2-yl)methyl 2,2-diphenyl-2-phenylmethoxy-ethanoate chloride Openeye Name: (1-methylpyrrolidin-1-ium-2-yl)methyl 2-benzyloxy-2,2-diphenyl-acetate chloride CAS Name: 2,2-diphenyl-2-phenylmethoxyacetic acid (1-methyl-2-pyrrolidin-1-iumyl)methyl ester chloride IUPAC Name: (1-methylpyrrolidin-1-ium-2-yl)methyl 2,2-diphenyl-2-phenylmethoxyacetate chloride Traditional Name: 2-benzoxy-2,2-diphenyl-acetic acid (1-methylpyrrolidin-1-ium-2-yl)methyl ester chloride Formula: C27H30ClNO3 MolecularWeight: 451.985

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C[NH+]1CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H29NO3.ClH/c1-28-19-11-18-25(28)21-30-26(29)27(23-14-7-3-8-15-23,24-16-9-4-10-17-24)31-20-22-12-5-2-6-13-22;/h2-10,12-17,25H,11,18-21H2,1H3;1H