azepan-1-yl-[1-(phenylmethyl)piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: azepan-1-yl-[1-(phenylmethyl)piperidin-1-ium-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: azepan-1-yl-(1-benzylpiperidin-1-ium-3-yl)methanone; 2-hydroxy-2-oxo-acetate CAS Name: 1-azepanyl-[1-(phenylmethyl)-3-piperidin-1-iumyl]methanone; 2-hydroxy-2-oxoacetate IUPAC Name: azepan-1-yl-(1-benzylpiperidin-1-ium-3-yl)methanone; 2-hydroxy-2-oxoacetate Traditional Name: azepan-1-yl-(1-benzylpiperidin-1-ium-3-yl)methanone binoxalate Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H28N2O.C2H2O4/c22-19(21-13-6-1-2-7-14-21)18-11-8-12-20(16-18)15-17-9-4-3-5-10-17;3-1(4)2(5)6/h3-5,9-10,18H,1-2,6-8,11-16H2;(H,3,4)(H,5,6)