[2-[(1-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-phenyl] N,N-dimethylcarbamate bromide

Systemtic Name: [2-[(1-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-phenyl] N,N-dimethylcarbamate bromide Openeye Name: [2-[(1-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-phenyl] N,N-dimethylcarbamate bromide CAS Name: N,N-dimethylcarbamic acid [2-[(1-methyl-1-piperidin-1-iumyl)methyl]-4-phenylphenyl] ester bromide IUPAC Name: [2-[(1-methylpiperidin-1-ium-1-yl)methyl]-4-phenylphenyl] N,N-dimethylcarbamate bromide Traditional Name: N,N-dimethylcarbamic acid [2-[(1-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-phenyl] ester bromide Formula: C22H29BrN2O2 MolecularWeight: 433.38186

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=C(C=C(C=C1)C2=CC=CC=C2)C[N+]3(CCCCC3)C.[Br-]

Isomeric SMILES

CN(C)C(=O)OC1=C(C=C(C=C1)C2=CC=CC=C2)C[N+]3(CCCCC3)C.[Br-]

InChI

InChI=1S/C22H29N2O2.BrH/c1-23(2)22(25)26-21-13-12-19(18-10-6-4-7-11-18)16-20(21)17-24(3)14-8-5-9-15-24;/h4,6-7,10-13,16H,5,8-9,14-15,17H2,1-3H3;1H/q+1;/p-1