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

Systemtic Name: 2-[C-ethyl-N-(2-piperazin-4-ium-1-ylethyl)carbonimidoyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[C-ethyl-N-(2-piperazin-4-ium-1-ylethyl)carbonimidoyl]-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 5,5-dimethyl-3-oxo-2-[1-[2-(1-piperazin-4-iumyl)ethylimino]propyl]-1-cyclohexenolate IUPAC Name: 2-[C-ethyl-N-(2-piperazin-4-ium-1-ylethyl)carbonimidoyl]-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-[C-ethyl-N-(2-piperazin-4-ium-1-ylethyl)carbonimidoyl]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C17H29N3O2 MolecularWeight: 307.43106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O2/c1-4-13(19-7-10-20-8-5-18-6-9-20)16-14(21)11-17(2,3)12-15(16)22/h18,21H,4-12H2,1-3H3