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

Systemtic Name: ethyl-[2-nitro-4-(propylamino)phenyl]-oxidanyl-(3-oxidanylpropyl)azanium hydrochloride Openeye Name: ethyl-hydroxy-(3-hydroxypropyl)-[2-nitro-4-(propylamino)phenyl]ammonium hydrochloride CAS Name: ethyl-hydroxy-(3-hydroxypropyl)-[2-nitro-4-(propylamino)phenyl]ammonium hydrochloride IUPAC Name: ethyl-hydroxy-(3-hydroxypropyl)-[2-nitro-4-(propylamino)phenyl]azanium hydrochloride Traditional Name: ethyl-hydroxy-(3-hydroxypropyl)-[2-nitro-4-(propylamino)phenyl]ammonium hydrochloride Formula: C14H25ClN3O4+ MolecularWeight: 334.819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N3O4.ClH/c1-3-8-15-12-6-7-14(13(11-12)16(19)20)17(21,4-2)9-5-10-18;/h6-7,11,15,18,21H,3-5,8-10H2,1-2H3;1H/q+1;