2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-nitrophenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-nitrophenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[(3-nitrophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl-dimethyl-ammonium Formula: C20H23N4O5S+ MolecularWeight: 431.48542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c1-22(2)10-11-23(19(25)13-6-5-7-14(12-13)24(26)27)20-21-17-15(28-3)8-9-16(29-4)18(17)30-20/h5-9,12H,10-11H2,1-4H3/p+1