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

Systemtic Name: (2S)-2-(4-fluorophenyl)-2-[4-(3-methoxy-4-methyl-phenyl)carbonylpiperazin-1-ium-1-yl]ethanenitrile Openeye Name: (2S)-2-(4-fluorophenyl)-2-[4-(3-methoxy-4-methyl-benzoyl)piperazin-1-ium-1-yl]acetonitrile CAS Name: (2S)-2-(4-fluorophenyl)-2-[4-[(3-methoxy-4-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetonitrile IUPAC Name: (2S)-2-(4-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: (2S)-2-(4-fluorophenyl)-2-[4-(3-methoxy-4-methyl-benzoyl)piperazin-1-ium-1-yl]acetonitrile Formula: C21H23FN3O2+ MolecularWeight: 368.424623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C(C#N)C3=CC=C(C=C3)F)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)[C@H](C#N)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H22FN3O2/c1-15-3-4-17(13-20(15)27-2)21(26)25-11-9-24(10-12-25)19(14-23)16-5-7-18(22)8-6-16/h3-8,13,19H,9-12H2,1-2H3/p+1/t19-/m1/s1