3-[3-(4-methoxyphenyl)carbonyl-6-nitro-1-oxidanidyl-indazol-1-ium-2-yl]propylazanium chloride

Systemtic Name: 3-[3-(4-methoxyphenyl)carbonyl-6-nitro-1-oxidanidyl-indazol-1-ium-2-yl]propylazanium chloride Openeye Name: 3-[3-(4-methoxybenzoyl)-6-nitro-1-oxido-indazol-1-ium-2-yl]propylammonium chloride CAS Name: 3-[3-[(4-methoxyphenyl)-oxomethyl]-6-nitro-1-oxido-2-indazol-1-iumyl]propylammonium chloride IUPAC Name: 3-[3-(4-methoxybenzoyl)-6-nitro-1-oxidoindazol-1-ium-2-yl]propylazanium chloride Traditional Name: 3-(6-nitro-1-oxido-3-p-anisoyl-indazol-1-ium-2-yl)propylammonium chloride Formula: C18H19ClN4O5 MolecularWeight: 406.82026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCC[NH3+])[O-])[N+](=O)[O-].[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=[N+](N2CCC[NH3+])[O-])[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C18H18N4O5.ClH/c1-27-14-6-3-12(4-7-14)18(23)17-15-8-5-13(22(25)26)11-16(15)21(24)20(17)10-2-9-19;/h3-8,11H,2,9-10,19H2,1H3;1H