4-[(4-quinolin-5-ylcarbonylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-quinolin-5-ylcarbonylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[4-(quinoline-5-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo(5-quinolinyl)methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(quinoline-5-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(quinoline-5-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C22H21N4O+ MolecularWeight: 357.42834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=C4C=CC=NC4=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=C4C=CC=NC4=CC=C3

InChI

InChI=1S/C22H20N4O/c23-15-17-6-8-18(9-7-17)16-25-11-13-26(14-12-25)22(27)20-3-1-5-21-19(20)4-2-10-24-21/h1-10H,11-14,16H2/p+1