4-[[4-[2-(2,4-dimethylquinolin-3-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2,4-dimethylquinolin-3-yl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2,4-dimethyl-3-quinolyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(2,4-dimethyl-3-quinolinyl)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2,4-dimethylquinolin-3-yl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2,4-dimethyl-3-quinolyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C25H27N4O+ MolecularWeight: 399.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H26N4O/c1-18-22-5-3-4-6-24(22)27-19(2)23(18)15-25(30)29-13-11-28(12-14-29)17-21-9-7-20(16-26)8-10-21/h3-10H,11-15,17H2,1-2H3/p+1