(1-morpholin-4-ium-4-yl-3-morpholin-4-yl-propan-2-yl) hexanoate chloride hydrate

Systemtic Name: (1-morpholin-4-ium-4-yl-3-morpholin-4-yl-propan-2-yl) hexanoate chloride hydrate Openeye Name: [1-(morpholin-4-ium-4-ylmethyl)-2-morpholino-ethyl] hexanoate chloride hydrate CAS Name: hexanoic acid [1-(4-morpholin-4-iumyl)-3-(4-morpholinyl)propan-2-yl] ester chloride hydrate IUPAC Name: (1-morpholin-4-ium-4-yl-3-morpholin-4-ylpropan-2-yl) hexanoate chloride hydrate Traditional Name: hexanoic acid [1-(morpholin-4-ium-4-ylmethyl)-2-morpholino-ethyl] ester chloride hydrate Formula: C17H35ClN2O5 MolecularWeight: 382.9232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C[NH+]1CCOCC1)CN2CCOCC2.O.[Cl-]

Isomeric SMILES

CCCCCC(=O)OC(C[NH+]1CCOCC1)CN2CCOCC2.O.[Cl-]

InChI

InChI=1S/C17H32N2O4.ClH.H2O/c1-2-3-4-5-17(20)23-16(14-18-6-10-21-11-7-18)15-19-8-12-22-13-9-19;;/h16H,2-15H2,1H3;1H;1H2