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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5Cl

InChI

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