4-methylbenzenesulfonate; methyl-(3-methyl-1,3-benzothiazol-2-ylidene)-phenethyl-azanium

Systemtic Name: 4-methylbenzenesulfonate; methyl-(3-methyl-1,3-benzothiazol-2-ylidene)-phenethyl-azanium Openeye Name: 4-methylbenzenesulfonate; methyl-(3-methyl-1,3-benzothiazol-2-ylidene)-phenethyl-ammonium CAS Name: 4-methylbenzenesulfonate; methyl-(3-methyl-1,3-benzothiazol-2-ylidene)-phenethylammonium IUPAC Name: 4-methylbenzenesulfonate; methyl-(3-methyl-1,3-benzothiazol-2-ylidene)-phenethylazanium Traditional Name: methyl-(3-methyl-1,3-benzothiazol-2-ylidene)-phenethyl-ammonium tosylate Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2SC1=[N+](C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2SC1=[N+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C17H19N2S.C7H8O3S/c1-18(13-12-14-8-4-3-5-9-14)17-19(2)15-10-6-7-11-16(15)20-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-11H,12-13H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1