4-[1,3-diphenyl-2-(phenylmethyl)propan-2-yl]-1-ethyl-pyridin-1-ium bromide

Systemtic Name: 4-[1,3-diphenyl-2-(phenylmethyl)propan-2-yl]-1-ethyl-pyridin-1-ium bromide Openeye Name: 4-(1,1-dibenzyl-2-phenyl-ethyl)-1-ethyl-pyridin-1-ium bromide CAS Name: 4-[1,3-diphenyl-2-(phenylmethyl)propan-2-yl]-1-ethylpyridin-1-ium bromide IUPAC Name: 4-(2-benzyl-1,3-diphenylpropan-2-yl)-1-ethylpyridin-1-ium bromide Traditional Name: 4-(1,1-dibenzyl-2-phenyl-ethyl)-1-ethyl-pyridin-1-ium bromide Formula: C29H30BrN MolecularWeight: 472.4592

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C=C1)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC[N+]1=CC=C(C=C1)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C29H30N.BrH/c1-2-30-20-18-28(19-21-30)29(22-25-12-6-3-7-13-25,23-26-14-8-4-9-15-26)24-27-16-10-5-11-17-27;/h3-21H,2,22-24H2,1H3;1H/q+1;/p-1