1-methyl-4-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-methyl-4-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-methyl-4-[1-(1-naphthylmethyl)-4-piperidyl]piperazin-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-methyl-4-[1-(1-naphthalenylmethyl)-4-piperidinyl]piperazin-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-methyl-4-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperazin-1-ium Traditional Name: 1-methyl-4-[1-(1-naphthylmethyl)-4-piperidyl]piperazin-1-ium binoxalate Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H29N3.C2H2O4/c1-22-13-15-24(16-14-22)20-9-11-23(12-10-20)17-19-7-4-6-18-5-2-3-8-21(18)19;3-1(4)2(5)6/h2-8,20H,9-17H2,1H3;(H,3,4)(H,5,6)