1-phenyl-2-[4-(4-propylpiperazin-4-ium-1-yl)carbonylphenyl]ethane-1,2-dione

Systemtic Name: 1-phenyl-2-[4-(4-propylpiperazin-4-ium-1-yl)carbonylphenyl]ethane-1,2-dione Openeye Name: 1-phenyl-2-[4-(4-propylpiperazin-4-ium-1-carbonyl)phenyl]ethane-1,2-dione CAS Name: 1-[4-[oxo-(4-propyl-1-piperazin-4-iumyl)methyl]phenyl]-2-phenylethane-1,2-dione IUPAC Name: 1-phenyl-2-[4-(4-propylpiperazin-4-ium-1-carbonyl)phenyl]ethane-1,2-dione Traditional Name: 1-phenyl-2-[4-(4-propylpiperazin-4-ium-1-carbonyl)phenyl]ethane-1,2-dione Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3/c1-2-12-23-13-15-24(16-14-23)22(27)19-10-8-18(9-11-19)21(26)20(25)17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3/p+1