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

Systemtic Name: N-[(4-bromophenyl)methyl]carbamate; trimethyl-[(3-oxidanylpyridin-2-yl)methyl]azanium; hydrobromide Openeye Name: N-[(4-bromophenyl)methyl]carbamate; (3-hydroxy-2-pyridyl)methyl-trimethyl-ammonium; hydrobromide CAS Name: N-[(4-bromophenyl)methyl]carbamate; (3-hydroxy-2-pyridinyl)methyl-trimethylammonium; hydrobromide IUPAC Name: N-[(4-bromophenyl)methyl]carbamate; (3-hydroxypyridin-2-yl)methyl-trimethylazanium; hydrobromide Traditional Name: N-(4-bromobenzyl)carbamate; (3-hydroxy-2-pyridyl)methyl-trimethyl-ammonium; hydrobromide Formula: C17H23Br2N3O3 MolecularWeight: 477.19082

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=C(C=CC=N1)O.C1=CC(=CC=C1CNC(=O)[O-])Br.Br

Isomeric SMILES

C[N+](C)(C)CC1=C(C=CC=N1)O.C1=CC(=CC=C1CNC(=O)[O-])Br.Br

InChI

InChI=1S/C9H14N2O.C8H8BrNO2.BrH/c1-11(2,3)7-8-9(12)5-4-6-10-8;9-7-3-1-6(2-4-7)5-10-8(11)12;/h4-6H,7H2,1-3H3;1-4,10H,5H2,(H,11,12);1H