(2-methoxyphenyl)-methyl-[(2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]azanium; 4-methylbenzenesulfonate

Systemtic Name: (2-methoxyphenyl)-methyl-[(2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]azanium; 4-methylbenzenesulfonate Openeye Name: (2-methoxyphenyl)-methyl-[(2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]ammonium; 4-methylbenzenesulfonate CAS Name: (2-methoxyphenyl)-methyl-[(2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]ammonium; 4-methylbenzenesulfonate IUPAC Name: (2-methoxyphenyl)-methyl-[(2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]azanium; 4-methylbenzenesulfonate Traditional Name: (2-methoxyphenyl)-methyl-[(2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethylidene]ammonium tosylate Formula: C25H26N2O4S2 MolecularWeight: 482.61494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2SC1=CC=[N+](C)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN\1C2=CC=CC=C2S/C1=C/C=[N+](C)C3=CC=CC=C3OC

InChI

InChI=1S/C18H19N2OS.C7H8O3S/c1-19(14-8-4-6-10-16(14)21-3)13-12-18-20(2)15-9-5-7-11-17(15)22-18;1-6-2-4-7(5-3-6)11(8,9)10/h4-13H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1