2,6-diphenethyl-4-phenylmethoxy-1-(phenylmethyl)pyridin-1-ium bromide

Systemtic Name: 2,6-diphenethyl-4-phenylmethoxy-1-(phenylmethyl)pyridin-1-ium bromide Openeye Name: 1-benzyl-4-benzyloxy-2,6-diphenethyl-pyridin-1-ium bromide CAS Name: 2,6-diphenethyl-4-phenylmethoxy-1-(phenylmethyl)pyridin-1-ium bromide IUPAC Name: 1-benzyl-2,6-diphenethyl-4-phenylmethoxypyridin-1-ium bromide Traditional Name: 4-benzoxy-1-benzyl-2,6-diphenethyl-pyridin-1-ium bromide Formula: C35H34BrNO MolecularWeight: 564.55456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC(=CC(=[N+]2CC3=CC=CC=C3)CCC4=CC=CC=C4)OCC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC(=CC(=[N+]2CC3=CC=CC=C3)CCC4=CC=CC=C4)OCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C35H34NO.BrH/c1-5-13-29(14-6-1)21-23-33-25-35(37-28-32-19-11-4-12-20-32)26-34(24-22-30-15-7-2-8-16-30)36(33)27-31-17-9-3-10-18-31;/h1-20,25-26H,21-24,27-28H2;1H/q+1;/p-1