2-[1-(1,3-benzothiazol-2-yl)-2-(1-methylpyridin-1-ium-4-yl)ethyl]-1,3-benzothiazole

Systemtic Name: 2-[1-(1,3-benzothiazol-2-yl)-2-(1-methylpyridin-1-ium-4-yl)ethyl]-1,3-benzothiazole Openeye Name: 2-[1-(1,3-benzothiazol-2-yl)-2-(1-methylpyridin-1-ium-4-yl)ethyl]-1,3-benzothiazole CAS Name: 2-[1-(1,3-benzothiazol-2-yl)-2-(1-methyl-4-pyridin-1-iumyl)ethyl]-1,3-benzothiazole IUPAC Name: 2-[1-(1,3-benzothiazol-2-yl)-2-(1-methylpyridin-1-ium-4-yl)ethyl]-1,3-benzothiazole Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)-2-(1-methylpyridin-1-ium-4-yl)ethyl]-1,3-benzothiazole Formula: C22H18N3S2+ MolecularWeight: 388.52842

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[N+]1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3S2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H18N3S2/c1-25-12-10-15(11-13-25)14-16(21-23-17-6-2-4-8-19(17)26-21)22-24-18-7-3-5-9-20(18)27-22/h2-13,16H,14H2,1H3/q+1