2-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzoxazol-3-ium-3-yl)-1-(4-methylphenyl)ethanone bromide

Systemtic Name: 2-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzoxazol-3-ium-3-yl)-1-(4-methylphenyl)ethanone bromide Openeye Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-ium-3-yl)-1-(p-tolyl)ethanone bromide CAS Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-ium-3-yl)-1-(4-methylphenyl)ethanone bromide IUPAC Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-ium-3-yl)-1-(4-methylphenyl)ethanone bromide Traditional Name: 2-(2-amino-4,5,6,7-tetrahydro-1,3-benzoxazol-3-ium-3-yl)-1-(p-tolyl)ethanone bromide Formula: C16H19BrN2O2 MolecularWeight: 351.23826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=C(OC3=C2CCCC3)N.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=C(OC3=C2CCCC3)N.[Br-]

InChI

InChI=1S/C16H18N2O2.BrH/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17;/h6-9,17H,2-5,10H2,1H3;1H