9-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]nonyl ethanoate

Systemtic Name: 9-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]nonyl ethanoate Openeye Name: 9-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]nonyl acetate CAS Name: acetic acid 9-[3-(1-methyl-2-pyrrolidinyl)-1-pyridin-1-iumyl]nonyl ester IUPAC Name: 9-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]nonyl acetate Traditional Name: acetic acid 9-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]nonyl ester Formula: C21H35N2O2+ MolecularWeight: 347.5148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCCCCC[N+]1=CC=CC(=C1)C2CCCN2C

Isomeric SMILES

CC(=O)OCCCCCCCCC[N+]1=CC=CC(=C1)C2CCCN2C

InChI

InChI=1S/C21H35N2O2/c1-19(24)25-17-9-7-5-3-4-6-8-15-23-16-10-12-20(18-23)21-13-11-14-22(21)2/h10,12,16,18,21H,3-9,11,13-15,17H2,1-2H3/q+1