N-methyl-N-(4-methylphenyl)carbamate; trimethyl-[(3-oxidanylpyridin-2-yl)methyl]azanium; bromide

Systemtic Name: N-methyl-N-(4-methylphenyl)carbamate; trimethyl-[(3-oxidanylpyridin-2-yl)methyl]azanium; bromide Openeye Name: (3-hydroxy-2-pyridyl)methyl-trimethyl-ammonium; N-methyl-N-(p-tolyl)carbamate; bromide CAS Name: (3-hydroxy-2-pyridinyl)methyl-trimethylammonium; N-methyl-N-(4-methylphenyl)carbamate; bromide IUPAC Name: (3-hydroxypyridin-2-yl)methyl-trimethylazanium; N-methyl-N-(4-methylphenyl)carbamate; bromide Traditional Name: (3-hydroxy-2-pyridyl)methyl-trimethyl-ammonium; N-methyl-N-(p-tolyl)carbamate; bromide Formula: C18H25BrN3O3- MolecularWeight: 411.3134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)C(=O)[O-].C[N+](C)(C)CC1=C(C=CC=N1)O.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)N(C)C(=O)[O-].C[N+](C)(C)CC1=C(C=CC=N1)O.[Br-]

InChI

InChI=1S/C9H14N2O.C9H11NO2.BrH/c1-11(2,3)7-8-9(12)5-4-6-10-8;1-7-3-5-8(6-4-7)10(2)9(11)12;/h4-6H,7H2,1-3H3;3-6H,1-2H3,(H,11,12);1H/p-1