2-phenyl-1-(phenylmethyl)-4-(phenylmethylsulfanyl)quinolin-1-ium bromide

Systemtic Name: 2-phenyl-1-(phenylmethyl)-4-(phenylmethylsulfanyl)quinolin-1-ium bromide Openeye Name: 1-benzyl-4-benzylsulfanyl-2-phenyl-quinolin-1-ium bromide CAS Name: 2-phenyl-1-(phenylmethyl)-4-(phenylmethylthio)quinolin-1-ium bromide IUPAC Name: 1-benzyl-4-benzylsulfanyl-2-phenylquinolin-1-ium bromide Traditional Name: 1-benzyl-4-(benzylthio)-2-phenyl-quinolin-1-ium bromide Formula: C29H24BrNS MolecularWeight: 498.47656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(C=C(C3=CC=CC=C32)SCC4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(C=C(C3=CC=CC=C32)SCC4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H24NS.BrH/c1-4-12-23(13-5-1)21-30-27-19-11-10-18-26(27)29(31-22-24-14-6-2-7-15-24)20-28(30)25-16-8-3-9-17-25;/h1-20H,21-22H2;1H/q+1;/p-1