5,5-dimethyl-2-[2-(4-propanoylpiperazin-1-ium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[2-(4-propanoylpiperazin-1-ium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[2-(4-propanoylpiperazin-1-ium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[2-[4-(1-oxopropyl)-1-piperazin-1-iumyl]ethyliminomethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[2-(4-propanoylpiperazin-1-ium-1-yl)ethyliminomethyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[2-(4-propionylpiperazin-1-ium-1-yl)ethyliminomethyl]cyclohexane-1,3-quinone Formula: C18H30N3O3+ MolecularWeight: 336.4491

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC[NH+](CC1)CCN=CC2C(=O)CC(CC2=O)(C)C

Isomeric SMILES

CCC(=O)N1CC[NH+](CC1)CCN=CC2C(=O)CC(CC2=O)(C)C

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/h13-14H,4-12H2,1-3H3/p+1