ethanedioic acid; 2-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: ethanedioic acid; 2-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[1-[(4-ethylphenyl)methyl]-4-piperidyl]piperazin-1-yl]ethanol; oxalic acid CAS Name: 2-[4-[1-[(4-ethylphenyl)methyl]-4-piperidinyl]-1-piperazinyl]ethanol; oxalic acid IUPAC Name: 2-[4-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol; oxalic acid Traditional Name: 2-[4-[1-(4-ethylbenzyl)-4-piperidyl]piperazino]ethanol; oxalic acid Formula: C22H35N3O5 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCC(CC2)N3CCN(CC3)CCO.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCC(CC2)N3CCN(CC3)CCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H33N3O.C2H2O4/c1-2-18-3-5-19(6-4-18)17-22-9-7-20(8-10-22)23-13-11-21(12-14-23)15-16-24;3-1(4)2(5)6/h3-6,20,24H,2,7-17H2,1H3;(H,3,4)(H,5,6)