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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(4-nitrophenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(4-nitrobenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(4-nitrophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(4-nitrobenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(4-nitrobenzoyl)amino]ethyl-dimethyl-ammonium Formula: C18H19N4O3S+ MolecularWeight: 371.43346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S/c1-20(2)11-12-21(18-19-15-5-3-4-6-16(15)26-18)17(23)13-7-9-14(10-8-13)22(24)25/h3-10H,11-12H2,1-2H3/p+1