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

Systemtic Name: 3-[3-(4-methoxyphenyl)carbonyl-1-oxidanidyl-indazol-1-ium-2-yl]propylazanium ethanoate Openeye Name: 3-[3-(4-methoxybenzoyl)-1-oxido-indazol-1-ium-2-yl]propylammonium acetate CAS Name: 3-[3-[(4-methoxyphenyl)-oxomethyl]-1-oxido-2-indazol-1-iumyl]propylammonium acetate IUPAC Name: 3-[3-(4-methoxybenzoyl)-1-oxidoindazol-1-ium-2-yl]propylazanium acetate Traditional Name: 3-(1-oxido-3-p-anisoyl-indazol-1-ium-2-yl)propylammonium acetate Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3.C2H4O2/c1-24-14-9-7-13(8-10-14)18(22)17-15-5-2-3-6-16(15)21(23)20(17)12-4-11-19;1-2(3)4/h2-3,5-10H,4,11-12,19H2,1H3;1H3,(H,3,4)