N-(2-methylquinolin-4-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methylquinolin-4-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-methyl-4-quinolyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(2-methyl-4-quinolinyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-methylquinolin-4-yl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-methyl-4-quinolyl)acetamide Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2/c1-17-15-21(19-9-5-6-10-20(19)24-17)25-22(28)16-26-11-13-27(14-12-26)23(29)18-7-3-2-4-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,25,28)/p+1