1-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)ethylidene-(2-piperazine-1,4-diium-1-ylethyl)azanium

Systemtic Name: 1-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)ethylidene-(2-piperazine-1,4-diium-1-ylethyl)azanium Openeye Name: 1-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)ethylidene-(2-piperazine-1,4-diium-1-ylethyl)ammonium CAS Name: 1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)ethylidene-[2-(1-piperazine-1,4-diiumyl)ethyl]ammonium IUPAC Name: 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylidene-(2-piperazine-1,4-diium-1-ylethyl)azanium Traditional Name: 1-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)ethylidene-(2-piperazine-1,4-diium-1-ylethyl)ammonium Formula: C16H30N3O2+3 MolecularWeight: 296.4283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]CC[NH+]1CC[NH2+]CC1)C2=C(CC(CC2=O)(C)C)O

Isomeric SMILES

CC(=[NH+]CC[NH+]1CC[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/p+3