(3-morpholin-4-ium-4-yl-2-oxidanyl-propyl) 4-(propylamino)benzoate chloride

Systemtic Name: (3-morpholin-4-ium-4-yl-2-oxidanyl-propyl) 4-(propylamino)benzoate chloride Openeye Name: (2-hydroxy-3-morpholin-4-ium-4-yl-propyl) 4-(propylamino)benzoate chloride CAS Name: 4-(propylamino)benzoic acid [2-hydroxy-3-(4-morpholin-4-iumyl)propyl] ester chloride IUPAC Name: (2-hydroxy-3-morpholin-4-ium-4-ylpropyl) 4-(propylamino)benzoate chloride Traditional Name: 4-(propylamino)benzoic acid (2-hydroxy-3-morpholin-4-ium-4-yl-propyl) ester chloride Formula: C17H27ClN2O4 MolecularWeight: 358.86028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCOCC2)O.[Cl-]

Isomeric SMILES

CCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCOCC2)O.[Cl-]

InChI

InChI=1S/C17H26N2O4.ClH/c1-2-7-18-15-5-3-14(4-6-15)17(21)23-13-16(20)12-19-8-10-22-11-9-19;/h3-6,16,18,20H,2,7-13H2,1H3;1H