2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(5-nitrothiophen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(5-nitrothiophen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(5-nitro-2-thiophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C17H18ClN4O4S2+ MolecularWeight: 441.93222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O4S2/c1-20(2)8-9-21(16(23)12-6-7-13(27-12)22(24)25)17-19-14-11(26-3)5-4-10(18)15(14)28-17/h4-7H,8-9H2,1-3H3/p+1