1-dec-3-ynyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide

Systemtic Name: 1-dec-3-ynyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide Openeye Name: 1-dec-3-ynyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide CAS Name: 1-dec-3-ynyl-3-(1-methyl-2-pyrrolidinyl)pyridin-1-ium bromide IUPAC Name: 1-dec-3-ynyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide Traditional Name: 1-dec-3-ynyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium bromide Formula: C20H31BrN2 MolecularWeight: 379.37754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N2.BrH/c1-3-4-5-6-7-8-9-10-16-22-17-11-13-19(18-22)20-14-12-15-21(20)2;/h11,13,17-18,20H,3-7,10,12,14-16H2,1-2H3;1H/q+1;/p-1