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

Systemtic Name: 2-[(4-methylpyridin-1-ium-1-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[(4-methylpyridin-1-ium-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[(4-methyl-1-pyridin-1-iumyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-methylpyridin-1-ium-1-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[(4-methylpyridin-1-ium-1-yl)methyl]-1,3-benzothiazole Formula: C14H13N2S+ MolecularWeight: 241.33142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H13N2S/c1-11-6-8-16(9-7-11)10-14-15-12-4-2-3-5-13(12)17-14/h2-9H,10H2,1H3/q+1