4-methylbenzenesulfonate; N-[(E)-2-(3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenyl]aniline

Systemtic Name: 4-methylbenzenesulfonate; N-[(E)-2-(3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenyl]aniline Openeye Name: 4-methylbenzenesulfonate; N-[(E)-2-(3-methyl-4,5-dihydrothiazol-3-ium-2-yl)vinyl]aniline CAS Name: 4-methylbenzenesulfonate; N-[(E)-2-(3-methyl-4,5-dihydrothiazol-3-ium-2-yl)ethenyl]aniline IUPAC Name: 4-methylbenzenesulfonate; N-[(E)-2-(3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)ethenyl]aniline Traditional Name: [(E)-2-(3-methyl-2-thiazolin-3-ium-2-yl)vinyl]-phenyl-amine tosylate Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SCC1)C=CNC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SCC1)/C=C/NC2=CC=CC=C2

InChI

InChI=1S/C12H14N2S.C7H8O3S/c1-14-9-10-15-12(14)7-8-13-11-5-3-2-4-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-8H,9-10H2,1H3;2-5H,1H3,(H,8,9,10)