(5-bromanylthiophen-2-yl)methyl-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C16H19BrN3O3S+ MolecularWeight: 413.30936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(S2)Br

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(S2)Br

InChI

InChI=1S/C16H18BrN3O3S/c1-10-6-13(14(20(22)23)7-11(10)2)18-16(21)9-19(3)8-12-4-5-15(17)24-12/h4-7H,8-9H2,1-3H3,(H,18,21)/p+1