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

Systemtic Name: ethanedioic acid; 3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(4-methylpiperazin-1-yl)-1-piperidyl]butan-1-one; oxalic acid CAS Name: 3-methyl-1-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]-1-butanone; oxalic acid IUPAC Name: 3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one; oxalic acid Traditional Name: 3-methyl-1-[4-(4-methylpiperazino)piperidino]butan-1-one; oxalic acid Formula: C17H31N3O5 MolecularWeight: 357.44514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N3O.C2H2O4/c1-13(2)12-15(19)18-6-4-14(5-7-18)17-10-8-16(3)9-11-17;3-1(4)2(5)6/h13-14H,4-12H2,1-3H3;(H,3,4)(H,5,6)