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

Systemtic Name: 4-[[4-[(2-chloranylquinolin-3-yl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(2-chloro-3-quinolyl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-chloro-3-quinolinyl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[(2-chloroquinolin-3-yl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(2-chloro-3-quinolyl)methyl]-1,4-diazepan-1-ium-1-yl]methyl]benzonitrile Formula: C23H24ClN4+ MolecularWeight: 391.91646

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CC2=CC3=CC=CC=C3N=C2Cl)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[NH+](CCN(C1)CC2=CC3=CC=CC=C3N=C2Cl)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H23ClN4/c24-23-21(14-20-4-1-2-5-22(20)26-23)17-28-11-3-10-27(12-13-28)16-19-8-6-18(15-25)7-9-19/h1-2,4-9,14H,3,10-13,16-17H2/p+1