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

Systemtic Name: N,N-dimethylcarbamate; methyl-[(3-oxidanylpyridin-2-yl)methyl]-di(propan-2-yl)azanium; bromide Openeye Name: N,N-dimethylcarbamate; (3-hydroxy-2-pyridyl)methyl-diisopropyl-methyl-ammonium; bromide CAS Name: N,N-dimethylcarbamate; (3-hydroxy-2-pyridinyl)methyl-methyl-di(propan-2-yl)ammonium; bromide IUPAC Name: N,N-dimethylcarbamate; (3-hydroxypyridin-2-yl)methyl-methyl-di(propan-2-yl)azanium; bromide Traditional Name: N,N-dimethylcarbamate; (3-hydroxy-2-pyridyl)methyl-diisopropyl-methyl-ammonium; bromide Formula: C16H29BrN3O3- MolecularWeight: 391.32376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(CC1=C(C=CC=N1)O)C(C)C.CN(C)C(=O)[O-].[Br-]

Isomeric SMILES

CC(C)[N+](C)(CC1=C(C=CC=N1)O)C(C)C.CN(C)C(=O)[O-].[Br-]

InChI

InChI=1S/C13H22N2O.C3H7NO2.BrH/c1-10(2)15(5,11(3)4)9-12-13(16)7-6-8-14-12;1-4(2)3(5)6;/h6-8,10-11H,9H2,1-5H3;1-2H3,(H,5,6);1H/p-1