1-methyl-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-methyl-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-methyl-4-[1-(3-phenylpropyl)-4-piperidyl]piperazin-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-methyl-4-[1-(3-phenylpropyl)-4-piperidinyl]piperazin-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-methyl-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazin-1-ium Traditional Name: 1-methyl-4-[1-(3-phenylpropyl)-4-piperidyl]piperazin-1-ium binoxalate Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+]1CCN(CC1)C2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C19H31N3.C2H2O4/c1-20-14-16-22(17-15-20)19-9-12-21(13-10-19)11-5-8-18-6-3-2-4-7-18;3-1(4)2(5)6/h2-4,6-7,19H,5,8-17H2,1H3;(H,3,4)(H,5,6)