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

Systemtic Name: 1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]azepan-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-[1-[(2-methoxyphenyl)methyl]-4-piperidyl]azepan-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-[1-[(2-methoxyphenyl)methyl]-4-piperidinyl]azepan-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]azepan-1-ium Traditional Name: 1-(1-o-anisyl-4-piperidyl)azepan-1-ium binoxalate Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CCC(CC2)[NH+]3CCCCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=CC=CC=C1CN2CCC(CC2)[NH+]3CCCCCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H30N2O.C2H2O4/c1-22-19-9-5-4-8-17(19)16-20-14-10-18(11-15-20)21-12-6-2-3-7-13-21;3-1(4)2(5)6/h4-5,8-9,18H,2-3,6-7,10-16H2,1H3;(H,3,4)(H,5,6)