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

Systemtic Name: 2-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate Openeye Name: 2-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate CAS Name: 2-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate IUPAC Name: 2-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate Traditional Name: 2-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium perchlorate Formula: C17H22ClNO4S MolecularWeight: 371.87888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22NS.ClHO4/c1-17(2,3)14-8-10-15(11-9-14)18-12-13-6-4-5-7-16(13)19-18;2-1(3,4)5/h8-12H,4-7H2,1-3H3;(H,2,3,4,5)/q+1;/p-1