N,3-dimethyl-N-(4-methylphenyl)-1,3-benzothiazol-3-ium-2-amine; 4-methylbenzenesulfonate

Systemtic Name: N,3-dimethyl-N-(4-methylphenyl)-1,3-benzothiazol-3-ium-2-amine; 4-methylbenzenesulfonate Openeye Name: N,3-dimethyl-N-(p-tolyl)-1,3-benzothiazol-3-ium-2-amine; 4-methylbenzenesulfonate CAS Name: N,3-dimethyl-N-(4-methylphenyl)-1,3-benzothiazol-3-ium-2-amine; 4-methylbenzenesulfonate IUPAC Name: N,3-dimethyl-N-(4-methylphenyl)-1,3-benzothiazol-3-ium-2-amine; 4-methylbenzenesulfonate Traditional Name: methyl-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-(p-tolyl)amine tosylate Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)C2=[N+](C3=CC=CC=C3S2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(C)C2=[N+](C3=CC=CC=C3S2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H17N2S.C7H8O3S/c1-12-8-10-13(11-9-12)17(2)16-18(3)14-6-4-5-7-15(14)19-16;1-6-2-4-7(5-3-6)11(8,9)10/h4-11H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1