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

Systemtic Name: 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[1-[(4-ethylphenyl)methyl]-4-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-[1-[(4-ethylphenyl)methyl]-4-piperidinyl]-4-(2-methoxyphenyl)piperazin-1-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazin-1-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-[1-(4-ethylbenzyl)-4-piperidyl]-4-(2-methoxyphenyl)piperazin-1-ium binoxalate Formula: C27H37N3O5 MolecularWeight: 483.59978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H35N3O.C2H2O4/c1-3-21-8-10-22(11-9-21)20-26-14-12-23(13-15-26)27-16-18-28(19-17-27)24-6-4-5-7-25(24)29-2;3-1(4)2(5)6/h4-11,23H,3,12-20H2,1-2H3;(H,3,4)(H,5,6)