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

Systemtic Name: 1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-4-phenyl-piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[1-[(3-chlorophenyl)methyl]-4-piperidyl]-4-phenyl-piperazin-1-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-[1-[(3-chlorophenyl)methyl]-4-piperidinyl]-4-phenylpiperazin-1-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-4-phenylpiperazin-1-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-[1-(3-chlorobenzyl)-4-piperidyl]-4-phenyl-piperazin-1-ium binoxalate Formula: C24H30ClN3O4 MolecularWeight: 459.9657

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)Cl.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)CC4=CC(=CC=C4)Cl.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H28ClN3.C2H2O4/c23-20-6-4-5-19(17-20)18-24-11-9-22(10-12-24)26-15-13-25(14-16-26)21-7-2-1-3-8-21;3-1(4)2(5)6/h1-8,17,22H,9-16,18H2;(H,3,4)(H,5,6)