(1,1-dimethyl-2,2-diphenyl-piperidin-1-ium-4-yl) ethanoate bromide

Systemtic Name: (1,1-dimethyl-2,2-diphenyl-piperidin-1-ium-4-yl) ethanoate bromide Openeye Name: (1,1-dimethyl-2,2-diphenyl-piperidin-1-ium-4-yl) acetate bromide CAS Name: acetic acid (1,1-dimethyl-2,2-diphenyl-4-piperidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethyl-2,2-diphenylpiperidin-1-ium-4-yl) acetate bromide Traditional Name: acetic acid (1,1-dimethyl-2,2-diphenyl-piperidin-1-ium-4-yl) ester bromide Formula: C21H26BrNO2 MolecularWeight: 404.34064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC[N+](C(C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C)C.[Br-]

Isomeric SMILES

CC(=O)OC1CC[N+](C(C1)(C2=CC=CC=C2)C3=CC=CC=C3)(C)C.[Br-]

InChI

InChI=1S/C21H26NO2.BrH/c1-17(23)24-20-14-15-22(2,3)21(16-20,18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-13,20H,14-16H2,1-3H3;1H/q+1;/p-1