[4-(2-methylbutylamino)-2-nitro-phenyl]-bis(oxidanyl)-(3-oxidanylpropyl)azanium

Systemtic Name: [4-(2-methylbutylamino)-2-nitro-phenyl]-bis(oxidanyl)-(3-oxidanylpropyl)azanium Openeye Name: dihydroxy-(3-hydroxypropyl)-[4-(2-methylbutylamino)-2-nitro-phenyl]ammonium CAS Name: dihydroxy-(3-hydroxypropyl)-[4-(2-methylbutylamino)-2-nitrophenyl]ammonium IUPAC Name: dihydroxy-(3-hydroxypropyl)-[4-(2-methylbutylamino)-2-nitrophenyl]azanium Traditional Name: dihydroxy-(3-hydroxypropyl)-[4-(2-methylbutylamino)-2-nitro-phenyl]ammonium Formula: C14H24N3O5+ MolecularWeight: 314.35746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=CC(=C(C=C1)[N+](CCCO)(O)O)[N+](=O)[O-]

Isomeric SMILES

CCC(C)CNC1=CC(=C(C=C1)[N+](CCCO)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H24N3O5/c1-3-11(2)10-15-12-5-6-14(13(9-12)16(19)20)17(21,22)7-4-8-18/h5-6,9,11,15,18,21-22H,3-4,7-8,10H2,1-2H3/q+1