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

Systemtic Name: 11-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]undecyl ethanoate Openeye Name: 11-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]undecyl acetate CAS Name: acetic acid 11-[3-(1-methyl-2-pyrrolidinyl)-1-pyridin-1-iumyl]undecyl ester IUPAC Name: 11-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]undecyl acetate Traditional Name: acetic acid 11-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]undecyl ester Formula: C23H39N2O2+ MolecularWeight: 375.56796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39N2O2/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/q+1