N-[2-(dimethylamino)quinolin-4-yl]-2-[4-(phenylcarbonyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[2-(dimethylamino)quinolin-4-yl]-2-[4-(phenylcarbonyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazine-1,4-diium-1-yl)-N-[2-(dimethylamino)-4-quinolyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazine-1,4-diiumyl)-N-[2-(dimethylamino)-4-quinolinyl]acetamide IUPAC Name: 2-(4-benzoylpiperazine-1,4-diium-1-yl)-N-[2-(dimethylamino)quinolin-4-yl]acetamide Traditional Name: 2-(4-benzoylpiperazine-1,4-diium-1-yl)-N-[2-(dimethylamino)-4-quinolyl]acetamide Formula: C24H29N5O2+2 MolecularWeight: 419.51936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2/c1-27(2)22-16-21(19-10-6-7-11-20(19)25-22)26-23(30)17-28-12-14-29(15-13-28)24(31)18-8-4-3-5-9-18/h3-11,16H,12-15,17H2,1-2H3,(H,25,26,30)/p+2