[1-(2-oxidanylidenepyrrolidin-1-yl)-3-piperidin-1-ium-1-yl-propan-2-yl] dodecanoate

Systemtic Name: [1-(2-oxidanylidenepyrrolidin-1-yl)-3-piperidin-1-ium-1-yl-propan-2-yl] dodecanoate Openeye Name: [1-[(2-oxopyrrolidin-1-yl)methyl]-2-piperidin-1-ium-1-yl-ethyl] dodecanoate CAS Name: dodecanoic acid [1-(2-oxo-1-pyrrolidinyl)-3-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ium-1-ylpropan-2-yl] dodecanoate Traditional Name: lauric acid [1-[(2-ketopyrrolidino)methyl]-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C24H45N2O3+ MolecularWeight: 409.6257

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(C[NH+]1CCCCC1)CN2CCCC2=O

Isomeric SMILES

CCCCCCCCCCCC(=O)OC(C[NH+]1CCCCC1)CN2CCCC2=O

InChI

InChI=1S/C24H44N2O3/c1-2-3-4-5-6-7-8-9-11-16-24(28)29-22(20-25-17-12-10-13-18-25)21-26-19-14-15-23(26)27/h22H,2-21H2,1H3/p+1