5,5-dimethyl-2-[1-[2-(4-pentanoylpiperazin-1-ium-1-yl)ethylamino]ethylidene]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[1-[2-(4-pentanoylpiperazin-1-ium-1-yl)ethylamino]ethylidene]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[1-[2-(4-pentanoylpiperazin-1-ium-1-yl)ethylamino]ethylidene]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[1-[2-[4-(1-oxopentyl)-1-piperazin-1-iumyl]ethylamino]ethylidene]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[1-[2-(4-pentanoylpiperazin-1-ium-1-yl)ethylamino]ethylidene]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[1-[2-(4-valerylpiperazin-1-ium-1-yl)ethylamino]ethylidene]cyclohexane-1,3-quinone Formula: C21H36N3O3+ MolecularWeight: 378.52884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CC[NH+](CC1)CCNC(=C2C(=O)CC(CC2=O)(C)C)C

Isomeric SMILES

CCCCC(=O)N1CC[NH+](CC1)CCNC(=C2C(=O)CC(CC2=O)(C)C)C

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/h22H,5-15H2,1-4H3/p+1