ethanedioate; 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-oxidanylidene-2-phenyl-chromen-3-yl)ethanamide

Systemtic Name: ethanedioate; 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-oxidanylidene-2-phenyl-chromen-3-yl)ethanamide Openeye Name: 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-oxo-2-phenyl-chromen-3-yl)acetamide; oxalate CAS Name: 2-(4-methyl-1-piperazine-1,4-diiumyl)-N-(4-oxo-2-phenyl-1-benzopyran-3-yl)acetamide; oxalate IUPAC Name: 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-oxo-2-phenylchromen-3-yl)acetamide; oxalate Traditional Name: N-(4-keto-2-phenyl-chromen-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide; oxalate Formula: C24H25N3O7 MolecularWeight: 467.4712

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C22H23N3O3.C2H2O4/c1-24-11-13-25(14-12-24)15-19(26)23-20-21(27)17-9-5-6-10-18(17)28-22(20)16-7-3-2-4-8-16;3-1(4)2(5)6/h2-10H,11-15H2,1H3,(H,23,26);(H,3,4)(H,5,6)