11-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]undecyl ethanoate bromide

Systemtic Name: 11-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]undecyl ethanoate bromide Openeye Name: 11-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]undecyl acetate bromide CAS Name: acetic acid 11-[3-(1-methyl-2-pyrrolidinyl)-1-pyridin-1-iumyl]undecyl ester bromide IUPAC Name: 11-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]undecyl acetate bromide Traditional Name: acetic acid 11-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]undecyl ester bromide Formula: C23H39BrN2O2 MolecularWeight: 455.47196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCCCCCCC[N+]1=CC=CC(=C1)C2CCCN2C.[Br-]

Isomeric SMILES

CC(=O)OCCCCCCCCCCC[N+]1=CC=CC(=C1)C2CCCN2C.[Br-]

InChI

InChI=1S/C23H39N2O2.BrH/c1-21(26)27-19-11-9-7-5-3-4-6-8-10-17-25-18-12-14-22(20-25)23-15-13-16-24(23)2;/h12,14,18,20,23H,3-11,13,15-17,19H2,1-2H3;1H/q+1;/p-1