4,4-dimethyl-1-[(1R)-1-phenyl-2-phenylsulfanyl-ethyl]-2-(phenylselanylmethyl)-2,3-dihydropyrrol-1-ium bromide

Systemtic Name: 4,4-dimethyl-1-[(1R)-1-phenyl-2-phenylsulfanyl-ethyl]-2-(phenylselanylmethyl)-2,3-dihydropyrrol-1-ium bromide Openeye Name: 4,4-dimethyl-1-[(1R)-1-phenyl-2-phenylsulfanyl-ethyl]-2-(phenylselanylmethyl)-2,3-dihydropyrrol-1-ium bromide CAS Name: 4,4-dimethyl-1-[(1R)-1-phenyl-2-(phenylthio)ethyl]-2-[(phenylseleno)methyl]-2,3-dihydropyrrol-1-ium bromide IUPAC Name: 4,4-dimethyl-1-[(1R)-1-phenyl-2-phenylsulfanylethyl]-2-(phenylselanylmethyl)-2,3-dihydropyrrol-1-ium bromide Traditional Name: 4,4-dimethyl-1-[(1R)-1-phenyl-2-(phenylthio)ethyl]-2-[(phenylseleno)methyl]-1-pyrrolin-1-ium bromide Formula: C27H30BrNSSe MolecularWeight: 559.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC([N+](=C1)C(CSC2=CC=CC=C2)C3=CC=CC=C3)C[Se]C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC1(CC([N+](=C1)[C@@H](CSC2=CC=CC=C2)C3=CC=CC=C3)C[Se]C4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C27H30NSSe.BrH/c1-27(2)18-23(20-30-25-16-10-5-11-17-25)28(21-27)26(22-12-6-3-7-13-22)19-29-24-14-8-4-9-15-24;/h3-17,21,23,26H,18-20H2,1-2H3;1H/q+1;/p-1/t23?,26-;/m0./s1