[2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-ethyl] 2,2-diphenylethanoate bromide

Systemtic Name: [2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-ethyl] 2,2-diphenylethanoate bromide Openeye Name: [2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-ethyl] 2,2-diphenylacetate bromide CAS Name: 2,2-diphenylacetic acid [2-(1-methyl-1-piperidin-1-iumyl)-2-phenylethyl] ester bromide IUPAC Name: [2-(1-methylpiperidin-1-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetate bromide Traditional Name: 2,2-diphenylacetic acid [2-(1-methylpiperidin-1-ium-1-yl)-2-phenyl-ethyl] ester bromide Formula: C28H32BrNO2 MolecularWeight: 494.46318

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1)C(COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H32NO2.BrH/c1-29(20-12-5-13-21-29)26(23-14-6-2-7-15-23)22-31-28(30)27(24-16-8-3-9-17-24)25-18-10-4-11-19-25;/h2-4,6-11,14-19,26-27H,5,12-13,20-22H2,1H3;1H/q+1;/p-1