dimethyl-morpholin-4-ylcarbonyl-[4-[(3-oxidanylidene-1-phenyl-propoxy)carbonylamino]butyl]azanium

Systemtic Name: dimethyl-morpholin-4-ylcarbonyl-[4-[(3-oxidanylidene-1-phenyl-propoxy)carbonylamino]butyl]azanium Openeye Name: dimethyl-(morpholine-4-carbonyl)-[4-[(3-oxo-1-phenyl-propoxy)carbonylamino]butyl]ammonium CAS Name: dimethyl-[4-morpholinyl(oxo)methyl]-[4-[[oxo-(3-oxo-1-phenylpropoxy)methyl]amino]butyl]ammonium IUPAC Name: dimethyl-(morpholine-4-carbonyl)-[4-[(3-oxo-1-phenylpropoxy)carbonylamino]butyl]azanium Traditional Name: 4-[(3-keto-1-phenyl-propoxy)carbonylamino]butyl-dimethyl-(morpholine-4-carbonyl)ammonium Formula: C21H32N3O5+ MolecularWeight: 406.49588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5/c1-24(2,21(27)23-12-16-28-17-13-23)14-7-6-11-22-20(26)29-19(10-15-25)18-8-4-3-5-9-18/h3-5,8-9,15,19H,6-7,10-14,16-17H2,1-2H3/p+1