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

Systemtic Name: 2-[(1-methylpyridin-1-ium-2-yl)methyl]-1,3-benzothiazole perchlorate Openeye Name: 2-[(1-methylpyridin-1-ium-2-yl)methyl]-1,3-benzothiazole perchlorate CAS Name: 2-[(1-methyl-2-pyridin-1-iumyl)methyl]-1,3-benzothiazole perchlorate IUPAC Name: 2-[(1-methylpyridin-1-ium-2-yl)methyl]-1,3-benzothiazole perchlorate Traditional Name: 2-[(1-methylpyridin-1-ium-2-yl)methyl]-1,3-benzothiazole perchlorate Formula: C14H13ClN2O4S MolecularWeight: 340.78202

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CC2=NC3=CC=CC=C3S2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=CC=CC=C1CC2=NC3=CC=CC=C3S2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H13N2S.ClHO4/c1-16-9-5-4-6-11(16)10-14-15-12-7-2-3-8-13(12)17-14;2-1(3,4)5/h2-9H,10H2,1H3;(H,2,3,4,5)/q+1;/p-1