1-(7-methyloct-6-enyl)-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide hydrobromide

Systemtic Name: 1-(7-methyloct-6-enyl)-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide hydrobromide Openeye Name: 1-(7-methyloct-6-enyl)-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide hydrobromide CAS Name: 1-(7-methyloct-6-enyl)-3-(1-methyl-2-pyrrolidinyl)pyridin-1-ium bromide hydrobromide IUPAC Name: 1-(7-methyloct-6-enyl)-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide hydrobromide Traditional Name: 1-(7-methyloct-6-enyl)-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide hydrobromide Formula: C19H32Br2N2 MolecularWeight: 448.27878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N2.2BrH/c1-17(2)10-6-4-5-7-14-21-15-8-11-18(16-21)19-12-9-13-20(19)3;;/h8,10-11,15-16,19H,4-7,9,12-14H2,1-3H3;2*1H/q+1;;/p-1