trimethyl-[3-[4-(phenylmethyl)pyridin-1-ium-1-yl]propyl]azanium dibromide

Systemtic Name: trimethyl-[3-[4-(phenylmethyl)pyridin-1-ium-1-yl]propyl]azanium dibromide Openeye Name: 3-(4-benzylpyridin-1-ium-1-yl)propyl-trimethyl-ammonium dibromide CAS Name: trimethyl-[3-[4-(phenylmethyl)-1-pyridin-1-iumyl]propyl]ammonium dibromide IUPAC Name: 3-(4-benzylpyridin-1-ium-1-yl)propyl-trimethylazanium dibromide Traditional Name: 3-(4-benzylpyridin-1-ium-1-yl)propyl-trimethyl-ammonium dibromide Formula: C18H26Br2N2 MolecularWeight: 430.22044

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC[N+]1=CC=C(C=C1)CC2=CC=CC=C2.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(C)CCC[N+]1=CC=C(C=C1)CC2=CC=CC=C2.[Br-].[Br-]

InChI

InChI=1S/C18H26N2.2BrH/c1-20(2,3)15-7-12-19-13-10-18(11-14-19)16-17-8-5-4-6-9-17;;/h4-6,8-11,13-14H,7,12,15-16H2,1-3H3;2*1H/q+2;;/p-2