2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrothiophen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrothiophen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[(5-nitro-2-thiophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C18H21N4O3S2+ MolecularWeight: 405.51434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(S3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(S3)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N4O3S2/c1-11-5-6-13-16(12(11)2)19-18(27-13)21(10-9-20(3)4)17(23)14-7-8-15(26-14)22(24)25/h5-8H,9-10H2,1-4H3/p+1