ethanedioate; 2-[4-(4-methylpiperazine-1,4-diium-1-yl)carbonylphenyl]chromen-4-one

Systemtic Name: ethanedioate; 2-[4-(4-methylpiperazine-1,4-diium-1-yl)carbonylphenyl]chromen-4-one Openeye Name: 2-[4-(4-methylpiperazine-1,4-diium-1-carbonyl)phenyl]chromen-4-one; oxalate CAS Name: 2-[4-[(4-methyl-1-piperazine-1,4-diiumyl)-oxomethyl]phenyl]-1-benzopyran-4-one; oxalate IUPAC Name: 2-[4-(4-methylpiperazine-1,4-diium-1-carbonyl)phenyl]chromen-4-one; oxalate Traditional Name: 2-[4-(4-methylpiperazine-1,4-diium-1-carbonyl)phenyl]chromone; oxalate Formula: C23H22N2O7 MolecularWeight: 438.42998

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(=O)C2=CC=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C(=O)C2=CC=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C21H20N2O3.C2H2O4/c1-22-10-12-23(13-11-22)21(25)16-8-6-15(7-9-16)20-14-18(24)17-4-2-3-5-19(17)26-20;3-1(4)2(5)6/h2-9,14H,10-13H2,1H3;(H,3,4)(H,5,6)