2-[(E)-[[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]phenolate

Systemtic Name: 2-[(E)-[[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]phenolate Openeye Name: 2-[(E)-[[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxo-acetyl]hydrazono]methyl]phenolate CAS Name: 2-[(E)-[[2-[3-(4-morpholin-4-iumyl)propylamino]-1,2-dioxoethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 2-[(E)-[[2-(3-morpholin-4-ium-4-ylpropylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenolate Traditional Name: 2-[(E)-[[2-keto-2-(3-morpholin-4-ium-4-ylpropylamino)acetyl]hydrazono]methyl]phenolate Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C(=O)NN=CC2=CC=CC=C2[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C(=O)N/N=C/C2=CC=CC=C2[O-]

InChI

InChI=1S/C16H22N4O4/c21-14-5-2-1-4-13(14)12-18-19-16(23)15(22)17-6-3-7-20-8-10-24-11-9-20/h1-2,4-5,12,21H,3,6-11H2,(H,17,22)(H,19,23)/b18-12+