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

Systemtic Name: 2-[2-[4-(2-chloranylethanoyl)piperazin-1-ium-1-yl]ethyliminomethyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[2-[4-(2-chloroacetyl)piperazin-1-ium-1-yl]ethyliminomethyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[2-[4-(2-chloro-1-oxoethyl)-1-piperazin-1-iumyl]ethyliminomethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[2-[4-(2-chloroacetyl)piperazin-1-ium-1-yl]ethyliminomethyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[2-[4-(2-chloroacetyl)piperazin-1-ium-1-yl]ethyliminomethyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C17H27ClN3O3+ MolecularWeight: 356.86758

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C=NCC[NH+]2CCN(CC2)C(=O)CCl)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C=NCC[NH+]2CCN(CC2)C(=O)CCl)C

InChI

InChI=1S/C17H26ClN3O3/c1-17(2)9-14(22)13(15(23)10-17)12-19-3-4-20-5-7-21(8-6-20)16(24)11-18/h12-13H,3-11H2,1-2H3/p+1