dimethyl-morpholin-4-ylcarbonyl-[4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)oxycarbonylamino]butyl]azanium

Systemtic Name: dimethyl-morpholin-4-ylcarbonyl-[4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)oxycarbonylamino]butyl]azanium Openeye Name: 4-[(1-benzyl-2-hydroxy-2-oxo-ethoxy)carbonylamino]butyl-dimethyl-(morpholine-4-carbonyl)ammonium CAS Name: 4-[[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)oxy-oxomethyl]amino]butyl-dimethyl-[4-morpholinyl(oxo)methyl]ammonium IUPAC Name: 4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)oxycarbonylamino]butyl-dimethyl-(morpholine-4-carbonyl)azanium Traditional Name: 4-[(1-benzyl-2-hydroxy-2-keto-ethoxy)carbonylamino]butyl-dimethyl-(morpholine-4-carbonyl)ammonium Formula: C21H32N3O6+ MolecularWeight: 422.49528

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCNC(=O)OC(CC1=CC=CC=C1)C(=O)O)C(=O)N2CCOCC2

Isomeric SMILES

C[N+](C)(CCCCNC(=O)OC(CC1=CC=CC=C1)C(=O)O)C(=O)N2CCOCC2

InChI

InChI=1S/C21H31N3O6/c1-24(2,21(28)23-11-14-29-15-12-23)13-7-6-10-22-20(27)30-18(19(25)26)16-17-8-4-3-5-9-17/h3-5,8-9,18H,6-7,10-16H2,1-2H3,(H-,22,25,26,27)/p+1