4-[[4-[(2-chloranylquinolin-3-yl)methyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2-chloranylquinolin-3-yl)methyl]piperazin-4-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2-chloro-3-quinolyl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-chloro-3-quinolinyl)methyl]-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2-chloroquinolin-3-yl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(2-chloro-3-quinolyl)methyl]piperazin-4-ium-1-yl]methyl]benzonitrile Formula: C22H22ClN4+ MolecularWeight: 377.88988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3N=C2Cl)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3N=C2Cl)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21ClN4/c23-22-20(13-19-3-1-2-4-21(19)25-22)16-27-11-9-26(10-12-27)15-18-7-5-17(14-24)6-8-18/h1-8,13H,9-12,15-16H2/p+1