12-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]dodecyl ethanoate bromide

Systemtic Name: 12-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]dodecyl ethanoate bromide Openeye Name: 12-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]dodecyl acetate bromide CAS Name: acetic acid 12-[3-(1-methyl-2-pyrrolidinyl)-1-pyridin-1-iumyl]dodecyl ester bromide IUPAC Name: 12-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]dodecyl acetate bromide Traditional Name: acetic acid 12-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]dodecyl ester bromide Formula: C24H41BrN2O2 MolecularWeight: 469.49854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H41N2O2.BrH/c1-22(27)28-20-12-10-8-6-4-3-5-7-9-11-18-26-19-13-15-23(21-26)24-16-14-17-25(24)2;/h13,15,19,21,24H,3-12,14,16-18,20H2,1-2H3;1H/q+1;/p-1