[1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-phenyl-ethanoate bromide

Systemtic Name: [1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl] 2-cyclohexyl-2-phenyl-ethanoate bromide Openeye Name: (1-benzyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-phenyl-acetate bromide CAS Name: 2-cyclohexyl-2-phenylacetic acid [1-methyl-1-(phenylmethyl)-3-pyrrolidin-1-iumyl] ester bromide IUPAC Name: (1-benzyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-phenylacetate bromide Traditional Name: 2-cyclohexyl-2-phenyl-acetic acid (1-benzyl-1-methyl-pyrrolidin-1-ium-3-yl) ester bromide Formula: C26H34BrNO2 MolecularWeight: 472.45766

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)C3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)C3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C26H34NO2.BrH/c1-27(19-21-11-5-2-6-12-21)18-17-24(20-27)29-26(28)25(22-13-7-3-8-14-22)23-15-9-4-10-16-23;/h2-3,5-8,11-14,23-25H,4,9-10,15-20H2,1H3;1H/q+1;/p-1