(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methylidene-[2-(4-propanoylpiperazin-1-ium-1-yl)ethyl]azanium

Systemtic Name: (4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methylidene-[2-(4-propanoylpiperazin-1-ium-1-yl)ethyl]azanium Openeye Name: (2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methylene-[2-(4-propanoylpiperazin-1-ium-1-yl)ethyl]ammonium CAS Name: (2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methylidene-[2-[4-(1-oxopropyl)-1-piperazin-1-iumyl]ethyl]ammonium IUPAC Name: (2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methylidene-[2-(4-propanoylpiperazin-1-ium-1-yl)ethyl]azanium Traditional Name: (2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methylene-[2-(4-propionylpiperazin-1-ium-1-yl)ethyl]ammonium Formula: C18H31N3O3+2 MolecularWeight: 337.45704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC[NH+](CC1)CC[NH+]=CC2=C(CC(CC2=O)(C)C)O

Isomeric SMILES

CCC(=O)N1CC[NH+](CC1)CC[NH+]=CC2=C(CC(CC2=O)(C)C)O

InChI

InChI=1S/C18H29N3O3/c1-4-17(24)21-9-7-20(8-10-21)6-5-19-13-14-15(22)11-18(2,3)12-16(14)23/h13,22H,4-12H2,1-3H3/p+2