2-methyl-1-(2-nitrophenyl)-1,2-benzothiazol-1-ium-3-one chloride

Systemtic Name: 2-methyl-1-(2-nitrophenyl)-1,2-benzothiazol-1-ium-3-one chloride Openeye Name: 2-methyl-1-(2-nitrophenyl)-1,2-benzothiazol-1-ium-3-one chloride CAS Name: 2-methyl-1-(2-nitrophenyl)-1,2-benzothiazol-1-ium-3-one chloride IUPAC Name: 2-methyl-1-(2-nitrophenyl)-1,2-benzothiazol-1-ium-3-one chloride Traditional Name: 2-methyl-1-(2-nitrophenyl)-1,2-benzothiazol-1-ium-3-one chloride Formula: C14H11ClN2O3S MolecularWeight: 322.76674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2[S+]1C3=CC=CC=C3[N+](=O)[O-].[Cl-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2[S+]1C3=CC=CC=C3[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C14H11N2O3S.ClH/c1-15-14(17)10-6-2-4-8-12(10)20(15)13-9-5-3-7-11(13)16(18)19;/h2-9H,1H3;1H/q+1;/p-1