(2S)-2-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: (2S)-2-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanenitrile Openeye Name: (2S)-2-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetonitrile CAS Name: (2S)-2-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetonitrile IUPAC Name: (2S)-2-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetonitrile Traditional Name: (2S)-2-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetonitrile Formula: C19H21FN3O3S+ MolecularWeight: 390.451743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN3O3S/c1-26-17-6-8-18(9-7-17)27(24,25)23-12-10-22(11-13-23)19(14-21)15-2-4-16(20)5-3-15/h2-9,19H,10-13H2,1H3/p+1/t19-/m1/s1