5,5-dimethyl-2-[C-methyl-N-(2-piperazin-4-ium-1-ylethyl)carbonimidoyl]-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 5,5-dimethyl-2-[C-methyl-N-(2-piperazin-4-ium-1-ylethyl)carbonimidoyl]-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 5,5-dimethyl-2-[C-methyl-N-(2-piperazin-4-ium-1-ylethyl)carbonimidoyl]-3-oxo-cyclohexen-1-olate CAS Name: 5,5-dimethyl-3-oxo-2-[1-[2-(1-piperazin-4-iumyl)ethylimino]ethyl]-1-cyclohexenolate IUPAC Name: 5,5-dimethyl-2-[C-methyl-N-(2-piperazin-4-ium-1-ylethyl)carbonimidoyl]-3-oxocyclohexen-1-olate Traditional Name: 3-keto-5,5-dimethyl-2-[C-methyl-N-(2-piperazin-4-ium-1-ylethyl)carbonimidoyl]cyclohexen-1-olate Formula: C16H27N3O2 MolecularWeight: 293.40448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCN1CC[NH2+]CC1)C2=C(CC(CC2=O)(C)C)[O-]

Isomeric SMILES

CC(=NCCN1CC[NH2+]CC1)C2=C(CC(CC2=O)(C)C)[O-]

InChI

InChI=1S/C16H27N3O2/c1-12(18-6-9-19-7-4-17-5-8-19)15-13(20)10-16(2,3)11-14(15)21/h17,20H,4-11H2,1-3H3