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

Systemtic Name: 5,5-dimethyl-2-[[methyl(2-piperazin-4-ium-1-ylethyl)amino]methylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[[methyl(2-piperazin-4-ium-1-ylethyl)amino]methylene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[methyl-[2-(1-piperazin-4-iumyl)ethyl]amino]methylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[[methyl(2-piperazin-4-ium-1-ylethyl)amino]methylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[[methyl(2-piperazin-4-ium-1-ylethyl)amino]methylene]cyclohexane-1,3-quinone Formula: C16H28N3O2+ MolecularWeight: 294.41242

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CN(C)CCN2CC[NH2+]CC2)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CN(C)CCN2CC[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+1