3-(1-methylpyrrolidin-2-yl)-1-[(E)-oct-3-enyl]pyridin-1-ium bromide hydrobromide

Systemtic Name: 3-(1-methylpyrrolidin-2-yl)-1-[(E)-oct-3-enyl]pyridin-1-ium bromide hydrobromide Openeye Name: 3-(1-methylpyrrolidin-2-yl)-1-[(E)-oct-3-enyl]pyridin-1-ium bromide hydrobromide CAS Name: 3-(1-methyl-2-pyrrolidinyl)-1-[(E)-oct-3-enyl]pyridin-1-ium bromide hydrobromide IUPAC Name: 3-(1-methylpyrrolidin-2-yl)-1-[(E)-oct-3-enyl]pyridin-1-ium bromide hydrobromide Traditional Name: 3-(1-methylpyrrolidin-2-yl)-1-[(E)-oct-3-enyl]pyridin-1-ium bromide hydrobromide Formula: C18H30Br2N2 MolecularWeight: 434.2522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCC[N+]1=CC=CC(=C1)C2CCCN2C.Br.[Br-]

Isomeric SMILES

CCCC/C=C/CC[N+]1=CC=CC(=C1)C2CCCN2C.Br.[Br-]

InChI

InChI=1S/C18H29N2.2BrH/c1-3-4-5-6-7-8-14-20-15-9-11-17(16-20)18-12-10-13-19(18)2;;/h6-7,9,11,15-16,18H,3-5,8,10,12-14H2,1-2H3;2*1H/q+1;;/p-1/b7-6+;;