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

Systemtic Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-(3-nitrophenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-[(3-nitrophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-methoxy-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl-dimethyl-ammonium Formula: C19H21N4O4S+ MolecularWeight: 401.45944

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-21(2)10-11-22(18(24)13-6-4-7-14(12-13)23(25)26)19-20-17-15(27-3)8-5-9-16(17)28-19/h4-9,12H,10-11H2,1-3H3/p+1