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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N2O.C7H15NO2.BrH/c1-11(2,3)7-8-9(12)5-4-6-10-8;1-5(2)8(6(3)4)7(9)10;/h4-6H,7H2,1-3H3;5-6H,1-4H3,(H,9,10);1H/p-1