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

Systemtic Name: 2-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethyliminomethyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethyliminomethyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[2-[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]ethyliminomethyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethyliminomethyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[2-(4-isobutyrylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CC[NH+](CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)N1CC[NH+](CC1)CCN=CC2C(=O)CC(CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3/c1-17(2)23(29)26-12-10-25(11-13-26)9-8-24-16-20-21(27)14-19(15-22(20)28)18-6-4-3-5-7-18/h3-7,16-17,19-20H,8-15H2,1-2H3/p+1