5,5-dimethyl-2-[[methyl(2-piperazine-1,4-diium-1-ylethyl)amino]methylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[[methyl(2-piperazine-1,4-diium-1-ylethyl)amino]methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[[methyl(2-piperazine-1,4-diium-1-ylethyl)amino]methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[methyl-[2-(1-piperazine-1,4-diiumyl)ethyl]amino]methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[[methyl(2-piperazine-1,4-diium-1-ylethyl)amino]methylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[[methyl(2-piperazine-1,4-diium-1-ylethyl)amino]methylene]cyclohexane-1,3-quinone Formula: C16H29N3O2+2 MolecularWeight: 295.42036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CN(C)CC[NH+]2CC[NH2+]CC2)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CN(C)CC[NH+]2CC[NH2+]CC2)C(=O)C1)C

InChI

InChI=1S/C16H27N3O2/c1-16(2)10-14(20)13(15(21)11-16)12-18(3)8-9-19-6-4-17-5-7-19/h12,17H,4-11H2,1-3H3/p+2