(5-bromanylpyridin-3-yl)-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]methanone Formula: C20H20BrN4O+ MolecularWeight: 412.303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C20H19BrN4O/c21-18-11-17(12-22-13-18)20(26)25-9-7-24(8-10-25)14-16-4-1-3-15-5-2-6-23-19(15)16/h1-6,11-13H,7-10,14H2/p+1