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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-(2-chloranyl-5-nitro-phenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-(2-chloro-5-nitro-benzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[(2-chloro-5-nitrophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-(2-chloro-5-nitrobenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-(2-chloro-5-nitro-benzoyl)amino]propyl-dimethyl-ammonium Formula: C19H20ClN4O3S+ MolecularWeight: 419.9051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O3S/c1-22(2)10-5-11-23(19-21-16-6-3-4-7-17(16)28-19)18(25)14-12-13(24(26)27)8-9-15(14)20/h3-4,6-9,12H,5,10-11H2,1-2H3/p+1