4-methyl-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide perchlorate

Systemtic Name: 4-methyl-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide perchlorate Openeye Name: 4-methyl-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide perchlorate CAS Name: 4-methyl-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide perchlorate IUPAC Name: 4-methyl-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide perchlorate Traditional Name: 4-methyl-N-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzenesulfonamide perchlorate Formula: C14H17ClN2O6S2 MolecularWeight: 408.87758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N2O2S2.ClHO4/c1-11-6-8-13(9-7-11)20(17,18)15-16-10-12-4-2-3-5-14(12)19-16;2-1(3,4)5/h6-10,15H,2-5H2,1H3;(H,2,3,4,5)/q+1;/p-1