[2-(4-bromophenyl)quinolin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(4-bromophenyl)quinolin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [2-(4-bromophenyl)-4-quinolyl]-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-(4-bromophenyl)-4-quinolinyl]-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [2-(4-bromophenyl)quinolin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [2-(4-bromophenyl)-4-quinolyl]-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C26H24BrN4O+ MolecularWeight: 488.39896

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H23BrN4O/c27-20-10-8-19(9-11-20)25-17-23(22-6-1-2-7-24(22)29-25)26(32)31-15-13-30(14-16-31)18-21-5-3-4-12-28-21/h1-12,17H,13-16,18H2/p+1