[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-1-yl)methanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-1-yl)methanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; [1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: 2-hydroxy-2-oxoacetate; [1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: 2-hydroxy-2-oxoacetate; [1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: (1-m-anisylpiperidin-1-ium-3-yl)-(4-methylpiperazino)methanone binoxalate Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC(=CC=C3)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC(=CC=C3)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H29N3O2.C2H2O4/c1-20-9-11-22(12-10-20)19(23)17-6-4-8-21(15-17)14-16-5-3-7-18(13-16)24-2;3-1(4)2(5)6/h3,5,7,13,17H,4,6,8-12,14-15H2,1-2H3;(H,3,4)(H,5,6)