4-[[4-[2-(5-methylfuran-2-yl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(5-methylfuran-2-yl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(5-methyl-2-furyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(5-methyl-2-furanyl)-4-quinolinyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(5-methyl-2-furyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C27H25N4O2+ MolecularWeight: 437.513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H24N4O2/c1-19-6-11-26(33-19)25-16-23(22-4-2-3-5-24(22)29-25)27(32)31-14-12-30(13-15-31)18-21-9-7-20(17-28)8-10-21/h2-11,16H,12-15,18H2,1H3/p+1