4-methylbenzenesulfonate; N-methyl-N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline

Systemtic Name: 4-methylbenzenesulfonate; N-methyl-N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline Openeye Name: 4-methylbenzenesulfonate; N-methyl-N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]aniline CAS Name: 4-methylbenzenesulfonate; N-methyl-N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline IUPAC Name: 4-methylbenzenesulfonate; N-methyl-N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline Traditional Name: methyl-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-phenyl-amine tosylate Formula: C24H24N2O3S2 MolecularWeight: 452.58896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=CC=CC=C21)C=CN(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=CC=CC=C21)/C=C/N(C)C3=CC=CC=C3

InChI

InChI=1S/C17H17N2S.C7H8O3S/c1-18(14-8-4-3-5-9-14)13-12-17-19(2)15-10-6-7-11-16(15)20-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-13H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1