5,5-dimethyl-3-oxidanylidene-2-[(R)-oxidanyl-[2-piperazin-4-ium-1-ylethyl(propyl)azaniumyl]methyl]cyclohexen-1-olate

Systemtic Name: 5,5-dimethyl-3-oxidanylidene-2-[(R)-oxidanyl-[2-piperazin-4-ium-1-ylethyl(propyl)azaniumyl]methyl]cyclohexen-1-olate Openeye Name: 2-[(R)-hydroxy-[2-piperazin-4-ium-1-ylethyl(propyl)ammonio]methyl]-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[(R)-hydroxy-[2-(1-piperazin-4-iumyl)ethyl-propylammonio]methyl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-[(R)-hydroxy-[2-piperazin-4-ium-1-ylethyl(propyl)azaniumyl]methyl]-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-[(R)-hydroxy-[2-piperazin-4-ium-1-ylethyl(propyl)ammonio]methyl]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C18H34N3O3+ MolecularWeight: 340.48086

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCN1CC[NH2+]CC1)C(C2=C(CC(CC2=O)(C)C)[O-])O

Isomeric SMILES

CCC[NH+](CCN1CC[NH2+]CC1)[C@@H](C2=C(CC(CC2=O)(C)C)[O-])O

InChI

InChI=1S/C18H33N3O3/c1-4-7-21(11-10-20-8-5-19-6-9-20)17(24)16-14(22)12-18(2,3)13-15(16)23/h17,19,22,24H,4-13H2,1-3H3/p+1/t17-/m1/s1