[2-[(3,4-dimethylphenyl)amino]quinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]quinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-(3,4-dimethylanilino)-4-quinolyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [2-(3,4-dimethylanilino)-4-quinolinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(3,4-dimethylanilino)quinolin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-(3,4-dimethylanilino)-4-quinolyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C23H27N4O+ MolecularWeight: 375.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C23H26N4O/c1-16-8-9-18(14-17(16)2)24-22-15-20(19-6-4-5-7-21(19)25-22)23(28)27-12-10-26(3)11-13-27/h4-9,14-15H,10-13H2,1-3H3,(H,24,25)/p+1