3-[(4S,5S)-1,3-dimethyl-4,5-diphenyl-imidazolidin-2-yl]-1-(phenylmethyl)pyridin-1-ium bromide

Systemtic Name: 3-[(4S,5S)-1,3-dimethyl-4,5-diphenyl-imidazolidin-2-yl]-1-(phenylmethyl)pyridin-1-ium bromide Openeye Name: 1-benzyl-3-[(4S,5S)-1,3-dimethyl-4,5-diphenyl-imidazolidin-2-yl]pyridin-1-ium bromide CAS Name: 3-[(4S,5S)-1,3-dimethyl-4,5-diphenyl-2-imidazolidinyl]-1-(phenylmethyl)pyridin-1-ium bromide IUPAC Name: 1-benzyl-3-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]pyridin-1-ium bromide Traditional Name: 1-benzyl-3-[(4S,5S)-1,3-dimethyl-4,5-diphenyl-imidazolidin-2-yl]pyridin-1-ium bromide Formula: C29H30BrN3 MolecularWeight: 500.4726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(N(C1C2=C[N+](=CC=C2)CC3=CC=CC=C3)C)C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CN1[C@H]([C@@H](N(C1C2=C[N+](=CC=C2)CC3=CC=CC=C3)C)C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H30N3.BrH/c1-30-27(24-15-8-4-9-16-24)28(25-17-10-5-11-18-25)31(2)29(30)26-19-12-20-32(22-26)21-23-13-6-3-7-14-23;/h3-20,22,27-29H,21H2,1-2H3;1H/q+1;/p-1/t27-,28-;/m0./s1