1-methyl-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]pyridin-1-ium-2-amine iodide

Systemtic Name: 1-methyl-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]pyridin-1-ium-2-amine iodide Openeye Name: 1-methyl-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]pyridin-1-ium-2-amine iodide CAS Name: 1-methyl-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-pyridin-1-iumamine iodide IUPAC Name: 1-methyl-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]pyridin-1-ium-2-amine iodide Traditional Name: [(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-(1-methylpyridin-1-ium-2-yl)amine iodide Formula: C14H15IN4S MolecularWeight: 398.26517

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NNC3=CC=CC=[N+]3C.[I-]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=N/NC3=CC=CC=[N+]3C.[I-]

InChI

InChI=1S/C14H14N4S.HI/c1-17-10-6-5-9-13(17)15-16-14-18(2)11-7-3-4-8-12(11)19-14;/h3-10H,1-2H3;1H/b16-14+;