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

Systemtic Name: 1-(6-cyclopentylhexyl)-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide hydrobromide Openeye Name: 1-(6-cyclopentylhexyl)-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide hydrobromide CAS Name: 1-(6-cyclopentylhexyl)-3-(1-methyl-2-pyrrolidinyl)pyridin-1-ium bromide hydrobromide IUPAC Name: 1-(6-cyclopentylhexyl)-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide hydrobromide Traditional Name: 1-(6-cyclopentylhexyl)-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide hydrobromide Formula: C21H36Br2N2 MolecularWeight: 476.33194

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=C[N+](=CC=C2)CCCCCCC3CCCC3.Br.[Br-]

Isomeric SMILES

CN1CCCC1C2=C[N+](=CC=C2)CCCCCCC3CCCC3.Br.[Br-]

InChI

InChI=1S/C21H35N2.2BrH/c1-22-15-9-14-21(22)20-13-8-17-23(18-20)16-7-3-2-4-10-19-11-5-6-12-19;;/h8,13,17-19,21H,2-7,9-12,14-16H2,1H3;2*1H/q+1;;/p-1