4-methylbenzenesulfonate; 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-amine

Systemtic Name: 4-methylbenzenesulfonate; 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-amine Openeye Name: 4-methylbenzenesulfonate; 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-amine CAS Name: 4-methylbenzenesulfonate; 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-amine IUPAC Name: 4-methylbenzenesulfonate; 2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-amine Traditional Name: (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)amine tosylate Formula: C15H20N2O3S2 MolecularWeight: 340.4609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(S1)CCCC2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(S1)CCCC2)N

InChI

InChI=1S/C8H13N2S.C7H8O3S/c1-6-10(9)7-4-2-3-5-8(7)11-6;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,9H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1