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

Systemtic Name: 2-methoxy-N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline; 4-methylbenzenesulfonate Openeye Name: 2-methoxy-N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]aniline; 4-methylbenzenesulfonate CAS Name: 2-methoxy-N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline; 4-methylbenzenesulfonate IUPAC Name: 2-methoxy-N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline; 4-methylbenzenesulfonate Traditional Name: (2-methoxyphenyl)-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]amine tosylate Formula: C24H24N2O4S2 MolecularWeight: 468.58836

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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=CNC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C(SC2=CC=CC=C21)/C=C/NC3=CC=CC=C3OC

InChI

InChI=1S/C17H16N2OS.C7H8O3S/c1-19-14-8-4-6-10-16(14)21-17(19)11-12-18-13-7-3-5-9-15(13)20-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-12H,1-2H3;2-5H,1H3,(H,8,9,10)