[1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl] ethanoate bromide

Systemtic Name: [1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl] ethanoate bromide Openeye Name: (1-benzyl-1-methyl-pyrrolidin-1-ium-3-yl) acetate bromide CAS Name: acetic acid [1-methyl-1-(phenylmethyl)-3-pyrrolidin-1-iumyl] ester bromide IUPAC Name: (1-benzyl-1-methylpyrrolidin-1-ium-3-yl) acetate bromide Traditional Name: acetic acid (1-benzyl-1-methyl-pyrrolidin-1-ium-3-yl) ester bromide Formula: C14H20BrNO2 MolecularWeight: 314.2181

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC[N+](C1)(C)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CC(=O)OC1CC[N+](C1)(C)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C14H20NO2.BrH/c1-12(16)17-14-8-9-15(2,11-14)10-13-6-4-3-5-7-13;/h3-7,14H,8-11H2,1-2H3;1H/q+1;/p-1