4-[(1E)-4,4-bis(5-phenyl-1H-pyrrol-2-yl)buta-1,3-dienyl]-1-methyl-quinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-[(1E)-4,4-bis(5-phenyl-1H-pyrrol-2-yl)buta-1,3-dienyl]-1-methyl-quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-[(1E)-4,4-bis(5-phenyl-1H-pyrrol-2-yl)buta-1,3-dienyl]-1-methyl-quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-[(1E)-4,4-bis(5-phenyl-1H-pyrrol-2-yl)buta-1,3-dienyl]-1-methylquinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-[(1E)-4,4-bis(5-phenyl-1H-pyrrol-2-yl)buta-1,3-dienyl]-1-methylquinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4-[(1E)-4,4-bis(5-phenyl-1H-pyrrol-2-yl)buta-1,3-dienyl]-1-methyl-quinolin-1-ium tosylate Formula: C41H35N3O3S MolecularWeight: 649.7999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C2=CC=CC=C21)C=CC=C(C3=CC=C(N3)C4=CC=CC=C4)C5=CC=C(N5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C2=CC=CC=C21)/C=C/C=C(C3=CC=C(N3)C4=CC=CC=C4)C5=CC=C(N5)C6=CC=CC=C6

InChI

InChI=1S/C34H27N3.C7H8O3S/c1-37-24-23-25(28-16-8-9-18-34(28)37)15-10-17-29(32-21-19-30(35-32)26-11-4-2-5-12-26)33-22-20-31(36-33)27-13-6-3-7-14-27;1-6-2-4-7(5-3-6)11(8,9)10/h2-24H,1H3,(H,35,36);2-5H,1H3,(H,8,9,10)