2-[2-(1,2-diphenylindol-1-ium-3-ylidene)ethylidene]-1,3,3-trimethyl-pyrrolo[2,3-b]pyridine; 4-methylbenzenesulfonate

Systemtic Name: 2-[2-(1,2-diphenylindol-1-ium-3-ylidene)ethylidene]-1,3,3-trimethyl-pyrrolo[2,3-b]pyridine; 4-methylbenzenesulfonate Openeye Name: 2-[2-(1,2-diphenylindol-1-ium-3-ylidene)ethylidene]-1,3,3-trimethyl-pyrrolo[2,3-b]pyridine; 4-methylbenzenesulfonate CAS Name: 2-[2-(1,2-diphenyl-3-indol-1-iumylidene)ethylidene]-1,3,3-trimethylpyrrolo[2,3-b]pyridine; 4-methylbenzenesulfonate IUPAC Name: 2-[2-(1,2-diphenylindol-1-ium-3-ylidene)ethylidene]-1,3,3-trimethylpyrrolo[2,3-b]pyridine; 4-methylbenzenesulfonate Traditional Name: 2-[2-(1,2-diphenylindol-1-ium-3-ylidene)ethylidene]-1,3,3-trimethyl-pyrrolo[2,3-b]pyridine tosylate Formula: C39H35N3O3S MolecularWeight: 625.7785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C2=C(N=CC=C2)N(C1=CC=C3C4=CC=CC=C4[N+](=C3C5=CC=CC=C5)C6=CC=CC=C6)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C2=C(N=CC=C2)N(C1=CC=C3C4=CC=CC=C4[N+](=C3C5=CC=CC=C5)C6=CC=CC=C6)C)C

InChI

InChI=1S/C32H28N3.C7H8O3S/c1-32(2)27-18-12-22-33-31(27)34(3)29(32)21-20-26-25-17-10-11-19-28(25)35(24-15-8-5-9-16-24)30(26)23-13-6-4-7-14-23;1-6-2-4-7(5-3-6)11(8,9)10/h4-22H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1