4-bromanyl-1-methyl-3-(3-methylphenyl)-5-phenylsulfanyl-pyridin-1-ium; 4-ethylbenzenesulfonate

Systemtic Name: 4-bromanyl-1-methyl-3-(3-methylphenyl)-5-phenylsulfanyl-pyridin-1-ium; 4-ethylbenzenesulfonate Openeye Name: 4-bromo-1-methyl-3-(m-tolyl)-5-phenylsulfanyl-pyridin-1-ium; 4-ethylbenzenesulfonate CAS Name: 4-bromo-1-methyl-3-(3-methylphenyl)-5-(phenylthio)pyridin-1-ium; 4-ethylbenzenesulfonate IUPAC Name: 4-bromo-1-methyl-3-(3-methylphenyl)-5-phenylsulfanylpyridin-1-ium; 4-ethylbenzenesulfonate Traditional Name: 4-bromo-1-methyl-3-(m-tolyl)-5-(phenylthio)pyridin-1-ium; 4-ethylbesylate Formula: C27H26BrNO3S2 MolecularWeight: 556.53424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=CC(=C1)C2=C[N+](=CC(=C2Br)SC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=CC(=C1)C2=C[N+](=CC(=C2Br)SC3=CC=CC=C3)C

InChI

InChI=1S/C19H17BrNS.C8H10O3S/c1-14-7-6-8-15(11-14)17-12-21(2)13-18(19(17)20)22-16-9-4-3-5-10-16;1-2-7-3-5-8(6-4-7)12(9,10)11/h3-13H,1-2H3;3-6H,2H2,1H3,(H,9,10,11)/q+1;/p-1