3,3-dimethyl-9-(pentylamino)-2,4-dihydroacridin-10-ium-1-one; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3,3-dimethyl-9-(pentylamino)-2,4-dihydroacridin-10-ium-1-one; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3,3-dimethyl-9-(pentylamino)-2,4-dihydroacridin-10-ium-1-one; 2-hydroxy-2-oxo-acetate CAS Name: 3,3-dimethyl-9-(pentylamino)-2,4-dihydroacridin-10-ium-1-one; 2-hydroxy-2-oxoacetate IUPAC Name: 3,3-dimethyl-9-(pentylamino)-2,4-dihydroacridin-10-ium-1-one; 2-hydroxy-2-oxoacetate Traditional Name: 9-(amylamino)-3,3-dimethyl-2,4-dihydroacridin-10-ium-1-one binoxalate Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C2C(=[NH+]C3=CC=CC=C31)CC(CC2=O)(C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCCNC1=C2C(=[NH+]C3=CC=CC=C31)CC(CC2=O)(C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H26N2O.C2H2O4/c1-4-5-8-11-21-19-14-9-6-7-10-15(14)22-16-12-20(2,3)13-17(23)18(16)19;3-1(4)2(5)6/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,21,22);(H,3,4)(H,5,6)