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

Systemtic Name: (1-methylpyrrolidin-1-ium-2-yl)methyl 2,2-diphenyl-2-propoxy-ethanoate chloride Openeye Name: (1-methylpyrrolidin-1-ium-2-yl)methyl 2,2-diphenyl-2-propoxy-acetate chloride CAS Name: 2,2-diphenyl-2-propoxyacetic acid (1-methyl-2-pyrrolidin-1-iumyl)methyl ester chloride IUPAC Name: (1-methylpyrrolidin-1-ium-2-yl)methyl 2,2-diphenyl-2-propoxyacetate chloride Traditional Name: 2,2-diphenyl-2-propoxy-acetic acid (1-methylpyrrolidin-1-ium-2-yl)methyl ester chloride Formula: C23H30ClNO3 MolecularWeight: 403.9422

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3CCC[NH+]3C.[Cl-]

Isomeric SMILES

CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC3CCC[NH+]3C.[Cl-]

InChI

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