2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate

Systemtic Name: 2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate Openeye Name: 2-(o-tolyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate CAS Name: 2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate IUPAC Name: 2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate Traditional Name: 2-(o-tolyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate Formula: C14H16ClNO4S MolecularWeight: 329.79914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+]2=CC3=C(S2)CCCC3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=CC=C1[N+]2=CC3=C(S2)CCCC3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H16NS.ClHO4/c1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16-15;2-1(3,4)5/h2,4,6,8,10H,3,5,7,9H2,1H3;(H,2,3,4,5)/q+1;/p-1