[2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(3-chlorophenyl)-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-(3-chlorophenyl)-4-quinolinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2-(3-chlorophenyl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(3-chlorophenyl)-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C25H22ClN4O+ MolecularWeight: 429.92138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H21ClN4O/c26-19-7-5-6-18(16-19)23-17-21(20-8-1-2-9-22(20)28-23)25(31)30-14-12-29(13-15-30)24-10-3-4-11-27-24/h1-11,16-17H,12-15H2/p+1