1-butyl-3-[(2S)-1-butyl-1-methyl-pyrrolidin-1-ium-2-yl]pyridin-1-ium dibromide

Systemtic Name: 1-butyl-3-[(2S)-1-butyl-1-methyl-pyrrolidin-1-ium-2-yl]pyridin-1-ium dibromide Openeye Name: 1-butyl-3-[(2S)-1-butyl-1-methyl-pyrrolidin-1-ium-2-yl]pyridin-1-ium dibromide CAS Name: 1-butyl-3-[(2S)-1-butyl-1-methyl-2-pyrrolidin-1-iumyl]pyridin-1-ium dibromide IUPAC Name: 1-butyl-3-[(2S)-1-butyl-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium dibromide Traditional Name: 1-butyl-3-[(2S)-1-butyl-1-methyl-pyrrolidin-1-ium-2-yl]pyridin-1-ium dibromide Formula: C18H32Br2N2 MolecularWeight: 436.26808

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC(=C1)C2CCC[N+]2(C)CCCC.[Br-].[Br-]

Isomeric SMILES

CCCC[N+]1=CC=CC(=C1)[C@@H]2CCC[N+]2(C)CCCC.[Br-].[Br-]

InChI

InChI=1S/C18H32N2.2BrH/c1-4-6-12-19-13-8-10-17(16-19)18-11-9-15-20(18,3)14-7-5-2;;/h8,10,13,16,18H,4-7,9,11-12,14-15H2,1-3H3;2*1H/q+2;;/p-2/t18-,20?;;/m0../s1