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

Systemtic Name: [6-bromanyl-2-(2-chlorophenyl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [6-bromo-2-(2-chlorophenyl)-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [6-bromo-2-(2-chlorophenyl)-4-quinolinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [6-bromo-2-(2-chlorophenyl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [6-bromo-2-(2-chlorophenyl)-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C25H21BrClN4O+ MolecularWeight: 508.81744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5Cl

InChI

InChI=1S/C25H20BrClN4O/c26-17-8-9-22-19(15-17)20(16-23(29-22)18-5-1-2-6-21(18)27)25(32)31-13-11-30(12-14-31)24-7-3-4-10-28-24/h1-10,15-16H,11-14H2/p+1