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

Systemtic Name: 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methyl-butan-1-one; ethanedioic acid Openeye Name: 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methyl-butan-1-one; oxalic acid CAS Name: 1-[4-(1-cyclohex-3-enylmethyl)-1-piperazinyl]-3-methyl-1-butanone; oxalic acid IUPAC Name: 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one; oxalic acid Traditional Name: 1-[4-(cyclohex-3-en-1-ylmethyl)piperazino]-3-methyl-butan-1-one; oxalic acid Formula: C18H30N2O5 MolecularWeight: 354.4412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)CC2CCC=CC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)CC2CCC=CC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H28N2O.C2H2O4/c1-14(2)12-16(19)18-10-8-17(9-11-18)13-15-6-4-3-5-7-15;3-1(4)2(5)6/h3-4,14-15H,5-13H2,1-2H3;(H,3,4)(H,5,6)