ethyl-[4-(ethylamino)-2-nitro-phenyl]-oxidanyl-(3-oxidanylpropyl)azanium

Systemtic Name: ethyl-[4-(ethylamino)-2-nitro-phenyl]-oxidanyl-(3-oxidanylpropyl)azanium Openeye Name: ethyl-[4-(ethylamino)-2-nitro-phenyl]-hydroxy-(3-hydroxypropyl)ammonium CAS Name: ethyl-[4-(ethylamino)-2-nitrophenyl]-hydroxy-(3-hydroxypropyl)ammonium IUPAC Name: ethyl-[4-(ethylamino)-2-nitrophenyl]-hydroxy-(3-hydroxypropyl)azanium Traditional Name: ethyl-[4-(ethylamino)-2-nitro-phenyl]-hydroxy-(3-hydroxypropyl)ammonium Formula: C13H22N3O4+ MolecularWeight: 284.33148

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC(=C(C=C1)[N+](CC)(CCCO)O)[N+](=O)[O-]

Isomeric SMILES

CCNC1=CC(=C(C=C1)[N+](CC)(CCCO)O)[N+](=O)[O-]

InChI

InChI=1S/C13H22N3O4/c1-3-14-11-6-7-13(12(10-11)15(18)19)16(20,4-2)8-5-9-17/h6-7,10,14,17,20H,3-5,8-9H2,1-2H3/q+1