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

Systemtic Name: 1-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)ethylidene-[2-(4-pentanoylpiperazin-1-ium-1-yl)ethyl]azanium Openeye Name: 1-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)ethylidene-[2-(4-pentanoylpiperazin-1-ium-1-yl)ethyl]ammonium CAS Name: 1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)ethylidene-[2-[4-(1-oxopentyl)-1-piperazin-1-iumyl]ethyl]ammonium IUPAC Name: 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylidene-[2-(4-pentanoylpiperazin-1-ium-1-yl)ethyl]azanium Traditional Name: 1-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)ethylidene-[2-(4-valerylpiperazin-1-ium-1-yl)ethyl]ammonium Formula: C21H37N3O3+2 MolecularWeight: 379.53678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CC[NH+](CC1)CC[NH+]=C(C)C2=C(CC(CC2=O)(C)C)O

Isomeric SMILES

CCCCC(=O)N1CC[NH+](CC1)CC[NH+]=C(C)C2=C(CC(CC2=O)(C)C)O

InChI

InChI=1S/C21H35N3O3/c1-5-6-7-19(27)24-12-10-23(11-13-24)9-8-22-16(2)20-17(25)14-21(3,4)15-18(20)26/h25H,5-15H2,1-4H3/p+2