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

Systemtic Name: ethanedioic acid; 3-methyl-1-[4-[4-(phenylmethyl)piperazin-1-yl]piperidin-1-yl]butan-1-one Openeye Name: 1-[4-(4-benzylpiperazin-1-yl)-1-piperidyl]-3-methyl-butan-1-one; oxalic acid CAS Name: 3-methyl-1-[4-[4-(phenylmethyl)-1-piperazinyl]-1-piperidinyl]-1-butanone; oxalic acid IUPAC Name: 1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]-3-methylbutan-1-one; oxalic acid Traditional Name: 1-[4-(4-benzylpiperazino)piperidino]-3-methyl-butan-1-one; oxalic acid Formula: C23H35N3O5 MolecularWeight: 433.5411

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC(CC1)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CC(=O)N1CCC(CC1)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H33N3O.C2H2O4/c1-18(2)16-21(25)24-10-8-20(9-11-24)23-14-12-22(13-15-23)17-19-6-4-3-5-7-19;3-1(4)2(5)6/h3-7,18,20H,8-17H2,1-2H3;(H,3,4)(H,5,6)