1,3-benzothiazol-2-ylmethyl-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C19H21N4O3S+ MolecularWeight: 385.46004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H20N4O3S/c1-12-8-15(16(23(25)26)9-13(12)2)20-18(24)10-22(3)11-19-21-14-6-4-5-7-17(14)27-19/h4-9H,10-11H2,1-3H3,(H,20,24)/p+1