N-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine; methyl sulfate

Systemtic Name: N-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine; methyl sulfate Openeye Name: N-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methyleneamino]-3-methyl-1,3-benzothiazol-2-imine; methyl sulfate CAS Name: N-[(1,3-dimethyl-2-benzimidazol-3-iumyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine; methyl sulfate IUPAC Name: N-[(1,3-dimethylbenzimidazol-3-ium-2-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine; methyl sulfate Traditional Name: (1,3-dimethylbenzimidazol-3-ium-2-yl)methylene-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]amine; methyl sulfate Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2[N+](=C1C=NN=C3N(C4=CC=CC=C4S3)C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2[N+](=C1C=NN=C3N(C4=CC=CC=C4S3)C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H18N5S.CH4O4S/c1-21-13-8-4-5-9-14(13)22(2)17(21)12-19-20-18-23(3)15-10-6-7-11-16(15)24-18;1-5-6(2,3)4/h4-12H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1