N-(2-ethyl-3-methyl-quinolin-4-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-3-methyl-quinolin-4-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-ethyl-3-methyl-4-quinolyl)acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(2-ethyl-3-methyl-4-quinolinyl)acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-ethyl-3-methylquinolin-4-yl)acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-ethyl-3-methyl-4-quinolyl)acetamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-3-21-18(2)24(20-11-7-8-12-22(20)26-21)27-23(30)17-28-13-15-29(16-14-28)25(31)19-9-5-4-6-10-19/h4-12H,3,13-17H2,1-2H3,(H,26,27,30)/p+1