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

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-methyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-methyl-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]-methyl-ammonium Formula: C15H17BrN3O3S+ MolecularWeight: 399.28278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(S2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(S2)Br

InChI

InChI=1S/C15H16BrN3O3S/c1-10-3-4-11(19(21)22)7-13(10)17-15(20)9-18(2)8-12-5-6-14(16)23-12/h3-7H,8-9H2,1-2H3,(H,17,20)/p+1