methyl-[2-nitro-4-(propylamino)phenyl]-oxidanyl-(2-oxidanylpropyl)azanium hydrochloride

Systemtic Name: methyl-[2-nitro-4-(propylamino)phenyl]-oxidanyl-(2-oxidanylpropyl)azanium hydrochloride Openeye Name: hydroxy-(2-hydroxypropyl)-methyl-[2-nitro-4-(propylamino)phenyl]ammonium hydrochloride CAS Name: hydroxy-(2-hydroxypropyl)-methyl-[2-nitro-4-(propylamino)phenyl]ammonium hydrochloride IUPAC Name: hydroxy-(2-hydroxypropyl)-methyl-[2-nitro-4-(propylamino)phenyl]azanium hydrochloride Traditional Name: hydroxy-(2-hydroxypropyl)-methyl-[2-nitro-4-(propylamino)phenyl]ammonium hydrochloride Formula: C13H23ClN3O4+ MolecularWeight: 320.79242

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC(=C(C=C1)[N+](C)(CC(C)O)O)[N+](=O)[O-].Cl

Isomeric SMILES

CCCNC1=CC(=C(C=C1)[N+](C)(CC(C)O)O)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H22N3O4.ClH/c1-4-7-14-11-5-6-13(12(8-11)15(18)19)16(3,20)9-10(2)17;/h5-6,8,10,14,17,20H,4,7,9H2,1-3H3;1H/q+1;