4,4-dimethyl-5-phenyl-1-[(1R)-1-phenylethyl]-2-(phenylselanylmethyl)-2,3-dihydropyrrol-1-ium bromide

Systemtic Name: 4,4-dimethyl-5-phenyl-1-[(1R)-1-phenylethyl]-2-(phenylselanylmethyl)-2,3-dihydropyrrol-1-ium bromide Openeye Name: 4,4-dimethyl-5-phenyl-1-[(1R)-1-phenylethyl]-2-(phenylselanylmethyl)-2,3-dihydropyrrol-1-ium bromide CAS Name: 4,4-dimethyl-5-phenyl-1-[(1R)-1-phenylethyl]-2-[(phenylseleno)methyl]-2,3-dihydropyrrol-1-ium bromide IUPAC Name: 4,4-dimethyl-5-phenyl-1-[(1R)-1-phenylethyl]-2-(phenylselanylmethyl)-2,3-dihydropyrrol-1-ium bromide Traditional Name: 3,3-dimethyl-2-phenyl-1-[(1R)-1-phenylethyl]-5-[(phenylseleno)methyl]-1-pyrrolin-1-ium bromide Formula: C27H30BrNSe MolecularWeight: 527.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[N+]2=C(C(CC2C[Se]C3=CC=CC=C3)(C)C)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[N+]2=C(C(CC2C[Se]C3=CC=CC=C3)(C)C)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H30NSe.BrH/c1-21(22-13-7-4-8-14-22)28-24(20-29-25-17-11-6-12-18-25)19-27(2,3)26(28)23-15-9-5-10-16-23;/h4-18,21,24H,19-20H2,1-3H3;1H/q+1;/p-1/t21-,24?;/m1./s1