dimethyl-[2-(morpholin-4-ylcarbonylamino)ethyl]-[2-nitro-5-(2-oxidanylpropoxycarbonyl)phenyl]azanium

Systemtic Name: dimethyl-[2-(morpholin-4-ylcarbonylamino)ethyl]-[2-nitro-5-(2-oxidanylpropoxycarbonyl)phenyl]azanium Openeye Name: [5-(2-hydroxypropoxycarbonyl)-2-nitro-phenyl]-dimethyl-[2-(morpholine-4-carbonylamino)ethyl]ammonium CAS Name: [5-[2-hydroxypropoxy(oxo)methyl]-2-nitrophenyl]-dimethyl-[2-[[4-morpholinyl(oxo)methyl]amino]ethyl]ammonium IUPAC Name: [5-(2-hydroxypropoxycarbonyl)-2-nitrophenyl]-dimethyl-[2-(morpholine-4-carbonylamino)ethyl]azanium Traditional Name: [5-(2-hydroxypropoxycarbonyl)-2-nitro-phenyl]-dimethyl-[2-(morpholine-4-carbonylamino)ethyl]ammonium Formula: C19H29N4O7+ MolecularWeight: 425.45616

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])[N+](C)(C)CCNC(=O)N2CCOCC2)O

Isomeric SMILES

CC(COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])[N+](C)(C)CCNC(=O)N2CCOCC2)O

InChI

InChI=1S/C19H28N4O7/c1-14(24)13-30-18(25)15-4-5-16(22(27)28)17(12-15)23(2,3)9-6-20-19(26)21-7-10-29-11-8-21/h4-5,12,14,24H,6-11,13H2,1-3H3/p+1