N,N-dimethyl-4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-(4-methylphenyl)sulfonyl-ethenyl]aniline iodide

Systemtic Name: N,N-dimethyl-4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-(4-methylphenyl)sulfonyl-ethenyl]aniline iodide Openeye Name: N,N-dimethyl-4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-(p-tolylsulfonyl)vinyl]aniline iodide CAS Name: N,N-dimethyl-4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-(4-methylphenyl)sulfonylethenyl]aniline iodide IUPAC Name: N,N-dimethyl-4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-(4-methylphenyl)sulfonylethenyl]aniline iodide Traditional Name: dimethyl-[4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-tosyl-vinyl]phenyl]amine iodide Formula: C25H25IN2O2S2 MolecularWeight: 576.51267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)N(C)C)C3=[N+](C4=CC=CC=C4S3)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)N(C)C)C3=[N+](C4=CC=CC=C4S3)C.[I-]

InChI

InChI=1S/C25H25N2O2S2.HI/c1-18-9-15-21(16-10-18)31(28,29)24(17-19-11-13-20(14-12-19)26(2)3)25-27(4)22-7-5-6-8-23(22)30-25;/h5-17H,1-4H3;1H/q+1;/p-1