1-(6-cyclohexylhexyl)-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide hydrobromide

Systemtic Name: 1-(6-cyclohexylhexyl)-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide hydrobromide Openeye Name: 1-(6-cyclohexylhexyl)-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide hydrobromide CAS Name: 1-(6-cyclohexylhexyl)-3-(1-methyl-2-pyrrolidinyl)pyridin-1-ium bromide hydrobromide IUPAC Name: 1-(6-cyclohexylhexyl)-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide hydrobromide Traditional Name: 1-(6-cyclohexylhexyl)-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide hydrobromide Formula: C22H38Br2N2 MolecularWeight: 490.35852

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=C[N+](=CC=C2)CCCCCCC3CCCCC3.Br.[Br-]

Isomeric SMILES

CN1CCCC1C2=C[N+](=CC=C2)CCCCCCC3CCCCC3.Br.[Br-]

InChI

InChI=1S/C22H37N2.2BrH/c1-23-16-10-15-22(23)21-14-9-18-24(19-21)17-8-3-2-5-11-20-12-6-4-7-13-20;;/h9,14,18-20,22H,2-8,10-13,15-17H2,1H3;2*1H/q+1;;/p-1