dimethyl-[[3-nitro-4-(2-oxidanylpropyl)phenyl]amino]-oxidanyl-azanium hydrate hydrochloride

Systemtic Name: dimethyl-[[3-nitro-4-(2-oxidanylpropyl)phenyl]amino]-oxidanyl-azanium hydrate hydrochloride Openeye Name: hydroxy-[4-(2-hydroxypropyl)-3-nitro-anilino]-dimethyl-ammonium hydrate hydrochloride CAS Name: hydroxy-[4-(2-hydroxypropyl)-3-nitroanilino]-dimethylammonium hydrate hydrochloride IUPAC Name: hydroxy-[4-(2-hydroxypropyl)-3-nitroanilino]-dimethylazanium hydrate hydrochloride Traditional Name: hydroxy-[4-(2-hydroxypropyl)-3-nitro-anilino]-dimethyl-ammonium hydrate hydrochloride Formula: C11H21ClN3O5+ MolecularWeight: 310.75454

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C=C(C=C1)N[N+](C)(C)O)[N+](=O)[O-])O.O.Cl

Isomeric SMILES

CC(CC1=C(C=C(C=C1)N[N+](C)(C)O)[N+](=O)[O-])O.O.Cl

InChI

InChI=1S/C11H18N3O4.ClH.H2O/c1-8(15)6-9-4-5-10(12-14(2,3)18)7-11(9)13(16)17;;/h4-5,7-8,12,15,18H,6H2,1-3H3;1H;1H2/q+1;;