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

Systemtic Name: (3-morpholin-4-ium-4-yl-2-oxidanyl-propyl) 4-(butylamino)benzoate chloride Openeye Name: (2-hydroxy-3-morpholin-4-ium-4-yl-propyl) 4-(butylamino)benzoate chloride CAS Name: 4-(butylamino)benzoic acid [2-hydroxy-3-(4-morpholin-4-iumyl)propyl] ester chloride IUPAC Name: (2-hydroxy-3-morpholin-4-ium-4-ylpropyl) 4-(butylamino)benzoate chloride Traditional Name: 4-(butylamino)benzoic acid (2-hydroxy-3-morpholin-4-ium-4-yl-propyl) ester chloride Formula: C18H29ClN2O4 MolecularWeight: 372.88686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCOCC2)O.[Cl-]

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C(=O)OCC(C[NH+]2CCOCC2)O.[Cl-]

InChI

InChI=1S/C18H28N2O4.ClH/c1-2-3-8-19-16-6-4-15(5-7-16)18(22)24-14-17(21)13-20-9-11-23-12-10-20;/h4-7,17,19,21H,2-3,8-14H2,1H3;1H