N,N-dimethylcarbamate; methyl-[(3-oxidanylpyridin-2-yl)methyl]-bis(phenylmethyl)azanium; bromide

Systemtic Name: N,N-dimethylcarbamate; methyl-[(3-oxidanylpyridin-2-yl)methyl]-bis(phenylmethyl)azanium; bromide Openeye Name: dibenzyl-[(3-hydroxy-2-pyridyl)methyl]-methyl-ammonium; N,N-dimethylcarbamate; bromide CAS Name: N,N-dimethylcarbamate; (3-hydroxy-2-pyridinyl)methyl-methyl-bis(phenylmethyl)ammonium; bromide IUPAC Name: dibenzyl-[(3-hydroxypyridin-2-yl)methyl]-methylazanium; N,N-dimethylcarbamate; bromide Traditional Name: dibenzyl-[(3-hydroxy-2-pyridyl)methyl]-methyl-ammonium; N,N-dimethylcarbamate; bromide Formula: C24H29BrN3O3- MolecularWeight: 487.40936

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)[O-].C[N+](CC1=CC=CC=C1)(CC2=CC=CC=C2)CC3=C(C=CC=N3)O.[Br-]

Isomeric SMILES

CN(C)C(=O)[O-].C[N+](CC1=CC=CC=C1)(CC2=CC=CC=C2)CC3=C(C=CC=N3)O.[Br-]

InChI

InChI=1S/C21H22N2O.C3H7NO2.BrH/c1-23(15-18-9-4-2-5-10-18,16-19-11-6-3-7-12-19)17-20-21(24)13-8-14-22-20;1-4(2)3(5)6;/h2-14H,15-17H2,1H3;1-2H3,(H,5,6);1H/p-1