2-[5-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]furan-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[5-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]furan-2-yl]-1,3-benzothiazole Openeye Name: 2-[5-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]-2-furyl]-1,3-benzothiazole CAS Name: 2-[5-[(E)-2-(1-methyl-2-pyridin-1-iumyl)ethenyl]-2-furanyl]-1,3-benzothiazole IUPAC Name: 2-[5-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]furan-2-yl]-1,3-benzothiazole Traditional Name: 2-[5-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]-2-furyl]-1,3-benzothiazole Formula: C19H15N2OS+ MolecularWeight: 319.4002

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC2=CC=C(O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/C2=CC=C(O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H15N2OS/c1-21-13-5-4-6-14(21)9-10-15-11-12-17(22-15)19-20-16-7-2-3-8-18(16)23-19/h2-13H,1H3/q+1/b10-9+