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

Systemtic Name: ethyl-(2-hydroxyethyl)-[2-nitro-4-(propylamino)phenyl]-oxidanyl-azanium hydrochloride Openeye Name: ethyl-hydroxy-(2-hydroxyethyl)-[2-nitro-4-(propylamino)phenyl]ammonium hydrochloride CAS Name: ethyl-hydroxy-(2-hydroxyethyl)-[2-nitro-4-(propylamino)phenyl]ammonium hydrochloride IUPAC Name: ethyl-hydroxy-(2-hydroxyethyl)-[2-nitro-4-(propylamino)phenyl]azanium hydrochloride Traditional Name: ethyl-hydroxy-(2-hydroxyethyl)-[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+](CC)(CCO)O)[N+](=O)[O-].Cl

Isomeric SMILES

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

InChI

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