[(S)-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-oxidanyl-methyl]-(2-piperazine-1,4-diium-1-ylethyl)-propyl-azanium

Systemtic Name: [(S)-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-oxidanyl-methyl]-(2-piperazine-1,4-diium-1-ylethyl)-propyl-azanium Openeye Name: [(S)-hydroxy-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-(2-piperazine-1,4-diium-1-ylethyl)-propyl-ammonium CAS Name: [(S)-hydroxy-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-[2-(1-piperazine-1,4-diiumyl)ethyl]-propylammonium IUPAC Name: [(S)-hydroxy-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-(2-piperazine-1,4-diium-1-ylethyl)-propylazanium Traditional Name: [(S)-hydroxy-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-(2-piperazine-1,4-diium-1-ylethyl)-propyl-ammonium Formula: C18H36N3O3+3 MolecularWeight: 342.49674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[NH+](CC[NH+]1CC[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+3/t17-/m0/s1