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

Systemtic Name: N-[(E)-(1,3-dimethylbenzimidazol-3-ium-2-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine ethanoate Openeye Name: N-[(E)-(1,3-dimethylbenzimidazol-3-ium-2-yl)methyleneamino]-3-methyl-1,3-benzothiazol-2-imine acetate CAS Name: N-[(E)-(1,3-dimethyl-2-benzimidazol-3-iumyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine acetate IUPAC Name: N-[(E)-(1,3-dimethylbenzimidazol-3-ium-2-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine acetate Traditional Name: (E)-(1,3-dimethylbenzimidazol-3-ium-2-yl)methylene-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]amine acetate Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)[O-].CN1C2=CC=CC=C2[N+](=C1/C=N/N=C\3/N(C4=CC=CC=C4S3)C)C

InChI

InChI=1S/C18H18N5S.C2H4O2/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;1-2(3)4/h4-12H,1-3H3;1H3,(H,3,4)/q+1;/p-1