4-[[4-(7-fluoranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(7-fluoranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(7-fluoro-2-methyl-quinoline-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(7-fluoro-2-methyl-3-quinolinyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(7-fluoro-2-methyl-quinoline-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H22FN4O+ MolecularWeight: 389.445383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H21FN4O/c1-16-21(12-19-6-7-20(24)13-22(19)26-16)23(29)28-10-8-27(9-11-28)15-18-4-2-17(14-25)3-5-18/h2-7,12-13H,8-11,15H2,1H3/p+1