2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrothiophen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrothiophen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-[(5-nitro-2-thiophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C18H21N4O3S2+ MolecularWeight: 405.51434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(S3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(S3)[N+](=O)[O-])C

InChI

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