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

Systemtic Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-(5-nitrothiophen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-[(5-nitro-2-thiophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C17H19N4O4S2+ MolecularWeight: 407.48716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4S2/c1-19(2)9-10-20(16(22)13-7-8-14(26-13)21(23)24)17-18-15-11(25-3)5-4-6-12(15)27-17/h4-8H,9-10H2,1-3H3/p+1