N-[(E)-2-(4-butyl-2,2-dimethyl-carbazol-9-ium-3-yl)ethenyl]aniline; 4-methylbenzenesulfonate

Systemtic Name: N-[(E)-2-(4-butyl-2,2-dimethyl-carbazol-9-ium-3-yl)ethenyl]aniline; 4-methylbenzenesulfonate Openeye Name: N-[(E)-2-(4-butyl-2,2-dimethyl-carbazol-9-ium-3-yl)vinyl]aniline; 4-methylbenzenesulfonate CAS Name: N-[(E)-2-(4-butyl-2,2-dimethyl-3-carbazol-9-iumyl)ethenyl]aniline; 4-methylbenzenesulfonate IUPAC Name: N-[(E)-2-(4-butyl-2,2-dimethylcarbazol-9-ium-3-yl)ethenyl]aniline; 4-methylbenzenesulfonate Traditional Name: [(E)-2-(4-butyl-2,2-dimethyl-carbazol-9-ium-3-yl)vinyl]-phenyl-amine tosylate Formula: C33H36N2O3S MolecularWeight: 540.71554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(C=C2C1=C3C=CC=CC3=[NH+]2)(C)C)C=CNC4=CC=CC=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC1=C(C(C=C2C1=C3C=CC=CC3=[NH+]2)(C)C)/C=C/NC4=CC=CC=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C26H28N2.C7H8O3S/c1-4-5-13-20-22(16-17-27-19-11-7-6-8-12-19)26(2,3)18-24-25(20)21-14-9-10-15-23(21)28-24;1-6-2-4-7(5-3-6)11(8,9)10/h6-12,14-18,27H,4-5,13H2,1-3H3;2-5H,1H3,(H,8,9,10)/b17-16+;