4-methylbenzenesulfonate; 2-[(E)-2-phenylazanylethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-amine

Systemtic Name: 4-methylbenzenesulfonate; 2-[(E)-2-phenylazanylethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-amine Openeye Name: 2-[(E)-2-anilinovinyl]-4,5-dihydrothiazol-3-ium-3-amine; 4-methylbenzenesulfonate CAS Name: 2-[(E)-2-anilinoethenyl]-4,5-dihydrothiazol-3-ium-3-amine; 4-methylbenzenesulfonate IUPAC Name: 2-[(E)-2-anilinoethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-amine; 4-methylbenzenesulfonate Traditional Name: [(E)-2-(3-amino-2-thiazolin-3-ium-2-yl)vinyl]-phenyl-amine tosylate Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CSC(=[N+]1N)C=CNC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CSC(=[N+]1N)/C=C/NC2=CC=CC=C2

InChI

InChI=1S/C11H13N3S.C7H8O3S/c12-14-8-9-15-11(14)6-7-13-10-4-2-1-3-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-7H,8-9,12H2;2-5H,1H3,(H,8,9,10)