3,4-dihydro-1H-isoquinolin-2-yl-[1-(phenylmethyl)piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(phenylmethyl)piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: (1-benzylpiperidin-1-ium-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone; 2-hydroxy-2-oxo-acetate CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(phenylmethyl)-3-piperidin-1-iumyl]methanone; 2-hydroxy-2-oxoacetate IUPAC Name: (1-benzylpiperidin-1-ium-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone; 2-hydroxy-2-oxoacetate Traditional Name: (1-benzylpiperidin-1-ium-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone binoxalate Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2)C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CC(C[NH+](C1)CC2=CC=CC=C2)C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H26N2O.C2H2O4/c25-22(24-14-12-19-9-4-5-10-20(19)17-24)21-11-6-13-23(16-21)15-18-7-2-1-3-8-18;3-1(4)2(5)6/h1-5,7-10,21H,6,11-17H2;(H,3,4)(H,5,6)