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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-(5-nitrothiophen-2-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-(5-nitrothiophene-2-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[(5-nitro-2-thiophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-(5-nitrothiophene-2-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-(5-nitrothiophene-2-carbonyl)amino]propyl-dimethyl-ammonium Formula: C17H19N4O3S2+ MolecularWeight: 391.48776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O3S2/c1-19(2)10-5-11-20(16(22)14-8-9-15(25-14)21(23)24)17-18-12-6-3-4-7-13(12)26-17/h3-4,6-9H,5,10-11H2,1-2H3/p+1