ethanedioic acid; 2-(3-methylphenoxy)-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-(3-methylphenoxy)-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(4-methylpiperazin-1-yl)-1-piperidyl]ethanone; oxalic acid CAS Name: 2-(3-methylphenoxy)-1-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]ethanone; oxalic acid IUPAC Name: 2-(3-methylphenoxy)-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethanone; oxalic acid Traditional Name: 2-(3-methylphenoxy)-1-[4-(4-methylpiperazino)piperidino]ethanone; oxalic acid Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)N3CCN(CC3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCC(CC2)N3CCN(CC3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29N3O2.C2H2O4/c1-16-4-3-5-18(14-16)24-15-19(23)22-8-6-17(7-9-22)21-12-10-20(2)11-13-21;3-1(4)2(5)6/h3-5,14,17H,6-13,15H2,1-2H3;(H,3,4)(H,5,6)