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

Systemtic Name: ethanedioic acid; 3-methyl-1-[4-(4-methylcyclohexyl)piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(4-methylcyclohexyl)piperazin-1-yl]butan-1-one; oxalic acid CAS Name: 3-methyl-1-[4-(4-methylcyclohexyl)-1-piperazinyl]-1-butanone; oxalic acid IUPAC Name: 3-methyl-1-[4-(4-methylcyclohexyl)piperazin-1-yl]butan-1-one; oxalic acid Traditional Name: 3-methyl-1-[4-(4-methylcyclohexyl)piperazino]butan-1-one; oxalic acid Formula: C18H32N2O5 MolecularWeight: 356.45708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2CCN(CC2)C(=O)CC(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCC(CC1)N2CCN(CC2)C(=O)CC(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H30N2O.C2H2O4/c1-13(2)12-16(19)18-10-8-17(9-11-18)15-6-4-14(3)5-7-15;3-1(4)2(5)6/h13-15H,4-12H2,1-3H3;(H,3,4)(H,5,6)