ethanedioic acid; 3-methyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]butan-1-one

Systemtic Name: ethanedioic acid; 3-methyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(4-phenylpiperazin-1-yl)-1-piperidyl]butan-1-one; oxalic acid CAS Name: 3-methyl-1-[4-(4-phenyl-1-piperazinyl)-1-piperidinyl]-1-butanone; oxalic acid IUPAC Name: 3-methyl-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]butan-1-one; oxalic acid Traditional Name: 3-methyl-1-[4-(4-phenylpiperazino)piperidino]butan-1-one; oxalic acid Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CC(=O)N1CCC(CC1)N2CCN(CC2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H31N3O.C2H2O4/c1-17(2)16-20(24)23-10-8-19(9-11-23)22-14-12-21(13-15-22)18-6-4-3-5-7-18;3-1(4)2(5)6/h3-7,17,19H,8-16H2,1-2H3;(H,3,4)(H,5,6)