(2S)-2-(4-fluorophenyl)-2-[4-(7-methoxy-2-methyl-quinolin-3-yl)carbonylpiperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: (2S)-2-(4-fluorophenyl)-2-[4-(7-methoxy-2-methyl-quinolin-3-yl)carbonylpiperazin-1-ium-1-yl]ethanenitrile Openeye Name: (2S)-2-(4-fluorophenyl)-2-[4-(7-methoxy-2-methyl-quinoline-3-carbonyl)piperazin-1-ium-1-yl]acetonitrile CAS Name: (2S)-2-(4-fluorophenyl)-2-[4-[(7-methoxy-2-methyl-3-quinolinyl)-oxomethyl]-1-piperazin-1-iumyl]acetonitrile IUPAC Name: (2S)-2-(4-fluorophenyl)-2-[4-(7-methoxy-2-methylquinoline-3-carbonyl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: (2S)-2-(4-fluorophenyl)-2-[4-(7-methoxy-2-methyl-quinoline-3-carbonyl)piperazin-1-ium-1-yl]acetonitrile Formula: C24H24FN4O2+ MolecularWeight: 419.471363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23FN4O2/c1-16-21(13-18-5-8-20(31-2)14-22(18)27-16)24(30)29-11-9-28(10-12-29)23(15-26)17-3-6-19(25)7-4-17/h3-8,13-14,23H,9-12H2,1-2H3/p+1/t23-/m1/s1