2-[2-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethanol iodide

Systemtic Name: 2-[2-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethanol iodide Openeye Name: 2-[2-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethanol iodide CAS Name: 2-[2-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-pyridin-1-iumyl]ethanol iodide IUPAC Name: 2-[2-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethanol iodide Traditional Name: 2-[2-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethanol iodide Formula: C16H17IN2OS MolecularWeight: 412.28845

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=CC3=CC=CC=[N+]3CCO.[I-]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C\C3=CC=CC=[N+]3CCO.[I-]

InChI

InChI=1S/C16H17N2OS.HI/c1-17-14-7-2-3-8-15(14)20-16(17)12-13-6-4-5-9-18(13)10-11-19;/h2-9,12,19H,10-11H2,1H3;1H/q+1;/p-1