2-[1,3-benzothiazol-2-yl-(2-chloranyl-5-nitro-phenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(2-chloranyl-5-nitro-phenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(2-chloro-5-nitro-benzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(2-chloro-5-nitrophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(2-chloro-5-nitrobenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(2-chloro-5-nitro-benzoyl)amino]ethyl-dimethyl-ammonium Formula: C18H18ClN4O3S+ MolecularWeight: 405.87852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O3S/c1-21(2)9-10-22(18-20-15-5-3-4-6-16(15)27-18)17(24)13-11-12(23(25)26)7-8-14(13)19/h3-8,11H,9-10H2,1-2H3/p+1