9-(butylamino)-3,3-dimethyl-2,4-dihydro-1H-acridin-10-ium-1-ol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 9-(butylamino)-3,3-dimethyl-2,4-dihydro-1H-acridin-10-ium-1-ol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 9-(butylamino)-3,3-dimethyl-2,4-dihydro-1H-acridin-10-ium-1-ol; 2-hydroxy-2-oxo-acetate CAS Name: 9-(butylamino)-3,3-dimethyl-2,4-dihydro-1H-acridin-10-ium-1-ol; 2-hydroxy-2-oxoacetate IUPAC Name: 9-(butylamino)-3,3-dimethyl-2,4-dihydro-1H-acridin-10-ium-1-ol; 2-hydroxy-2-oxoacetate Traditional Name: 9-(butylamino)-3,3-dimethyl-2,4-dihydro-1H-acridin-10-ium-1-ol binoxalate Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C(CC(CC2=[NH+]C3=CC=CC=C31)(C)C)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCNC1=C2C(CC(CC2=[NH+]C3=CC=CC=C31)(C)C)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H26N2O.C2H2O4/c1-4-5-10-20-18-13-8-6-7-9-14(13)21-15-11-19(2,3)12-16(22)17(15)18;3-1(4)2(5)6/h6-9,16,22H,4-5,10-12H2,1-3H3,(H,20,21);(H,3,4)(H,5,6)