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

Systemtic Name: 5,5-dimethyl-2-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethyliminomethyl]cyclohexane-1,3-dione Openeye Name: 2-[2-(4-benzoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[2-(4-benzoyl-1-piperazin-1-iumyl)ethyliminomethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[2-(4-benzoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[2-(4-benzoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C=NCC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C=NCC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O3/c1-22(2)14-19(26)18(20(27)15-22)16-23-8-9-24-10-12-25(13-11-24)21(28)17-6-4-3-5-7-17/h3-7,16,18H,8-15H2,1-2H3/p+1