1,3-benzothiazol-2-ylmethyl-methyl-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(2-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(2-nitroanilino)-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(2-nitroanilino)ethyl]-methyl-ammonium Formula: C17H17N4O3S+ MolecularWeight: 357.40688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-20(11-17-19-13-7-3-5-9-15(13)25-17)10-16(22)18-12-6-2-4-8-14(12)21(23)24/h2-9H,10-11H2,1H3,(H,18,22)/p+1