(1-propan-2-ylpyrrolidin-1-ium-2-yl)methyl 2-methoxy-2,2-diphenyl-ethanoate chloride

Systemtic Name: (1-propan-2-ylpyrrolidin-1-ium-2-yl)methyl 2-methoxy-2,2-diphenyl-ethanoate chloride Openeye Name: (1-isopropylpyrrolidin-1-ium-2-yl)methyl 2-methoxy-2,2-diphenyl-acetate chloride CAS Name: 2-methoxy-2,2-diphenylacetic acid (1-propan-2-yl-2-pyrrolidin-1-iumyl)methyl ester chloride IUPAC Name: (1-propan-2-ylpyrrolidin-1-ium-2-yl)methyl 2-methoxy-2,2-diphenylacetate chloride Traditional Name: 2-methoxy-2,2-diphenyl-acetic acid (1-isopropylpyrrolidin-1-ium-2-yl)methyl ester chloride Formula: C23H30ClNO3 MolecularWeight: 403.9422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO3.ClH/c1-18(2)24-16-10-15-21(24)17-27-22(25)23(26-3,19-11-6-4-7-12-19)20-13-8-5-9-14-20;/h4-9,11-14,18,21H,10,15-17H2,1-3H3;1H