4-[[4-(2,6-dimethylquinolin-3-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2,6-dimethylquinolin-3-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2,6-dimethyl-3-quinolinyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C24H25N4O+ MolecularWeight: 385.4815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H24N4O/c1-17-3-8-23-21(13-17)14-22(18(2)26-23)24(29)28-11-9-27(10-12-28)16-20-6-4-19(15-25)5-7-20/h3-8,13-14H,9-12,16H2,1-2H3/p+1