dimethyl-morpholin-4-ylcarbonyl-[5-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)oxycarbonylamino]pentyl]azanium

Systemtic Name: dimethyl-morpholin-4-ylcarbonyl-[5-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)oxycarbonylamino]pentyl]azanium Openeye Name: 5-[(1-benzyl-2-hydroxy-2-oxo-ethoxy)carbonylamino]pentyl-dimethyl-(morpholine-4-carbonyl)ammonium CAS Name: 5-[[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)oxy-oxomethyl]amino]pentyl-dimethyl-[4-morpholinyl(oxo)methyl]ammonium IUPAC Name: 5-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)oxycarbonylamino]pentyl-dimethyl-(morpholine-4-carbonyl)azanium Traditional Name: 5-[(1-benzyl-2-hydroxy-2-keto-ethoxy)carbonylamino]pentyl-dimethyl-(morpholine-4-carbonyl)ammonium Formula: C22H34N3O6+ MolecularWeight: 436.52186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O6/c1-25(2,22(29)24-12-15-30-16-13-24)14-8-4-7-11-23-21(28)31-19(20(26)27)17-18-9-5-3-6-10-18/h3,5-6,9-10,19H,4,7-8,11-17H2,1-2H3,(H-,23,26,27,28)/p+1