2-[1,3-benzothiazol-2-yl-(5-nitrothiophen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(5-nitrothiophen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(5-nitro-2-thiophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C16H17N4O3S2+ MolecularWeight: 377.46118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O3S2/c1-18(2)9-10-19(15(21)13-7-8-14(24-13)20(22)23)16-17-11-5-3-4-6-12(11)25-16/h3-8H,9-10H2,1-2H3/p+1