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

Systemtic Name: 2-[2-(4-butanoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[2-(4-butanoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[2-[4-(1-oxobutyl)-1-piperazin-1-iumyl]ethyliminomethyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[2-(4-butanoylpiperazin-1-ium-1-yl)ethyliminomethyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[2-(4-butyrylpiperazin-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:

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

Isomeric SMILES

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

InChI

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