[1-(azepan-1-ium-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl] hexanoate chloride

Systemtic Name: [1-(azepan-1-ium-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl] hexanoate chloride Openeye Name: [1-(azepan-1-ium-1-ylmethyl)-2-(2-oxopyrrolidin-1-yl)ethyl] hexanoate chloride CAS Name: hexanoic acid [1-(1-azepan-1-iumyl)-3-(2-oxo-1-pyrrolidinyl)propan-2-yl] ester chloride IUPAC Name: [1-(azepan-1-ium-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl] hexanoate chloride Traditional Name: hexanoic acid [1-(azepan-1-ium-1-ylmethyl)-2-(2-ketopyrrolidino)ethyl] ester chloride Formula: C19H35ClN2O3 MolecularWeight: 374.9458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C[NH+]1CCCCCC1)CN2CCCC2=O.[Cl-]

Isomeric SMILES

CCCCCC(=O)OC(C[NH+]1CCCCCC1)CN2CCCC2=O.[Cl-]

InChI

InChI=1S/C19H34N2O3.ClH/c1-2-3-6-11-19(23)24-17(16-21-14-9-10-18(21)22)15-20-12-7-4-5-8-13-20;/h17H,2-16H2,1H3;1H