azepan-1-yl-[1-(1-propylpiperidin-1-ium-4-yl)piperidin-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: azepan-1-yl-[1-(1-propylpiperidin-1-ium-4-yl)piperidin-3-yl]methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: azepan-1-yl-[1-(1-propylpiperidin-1-ium-4-yl)-3-piperidyl]methanone; 2-hydroxy-2-oxo-acetate CAS Name: 1-azepanyl-[1-(1-propyl-4-piperidin-1-iumyl)-3-piperidinyl]methanone; 2-hydroxy-2-oxoacetate IUPAC Name: azepan-1-yl-[1-(1-propylpiperidin-1-ium-4-yl)piperidin-3-yl]methanone; 2-hydroxy-2-oxoacetate Traditional Name: azepan-1-yl-[1-(1-propylpiperidin-1-ium-4-yl)-3-piperidyl]methanone binoxalate Formula: C22H39N3O5 MolecularWeight: 425.56216

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)N2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC[NH+]1CCC(CC1)N2CCCC(C2)C(=O)N3CCCCCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H37N3O.C2H2O4/c1-2-11-21-15-9-19(10-16-21)23-14-7-8-18(17-23)20(24)22-12-5-3-4-6-13-22;3-1(4)2(5)6/h18-19H,2-17H2,1H3;(H,3,4)(H,5,6)