(2S)-2-[4-(4-ethoxyphenyl)carbonylpiperazin-1-ium-1-yl]-2-(4-fluorophenyl)ethanenitrile

Systemtic Name: (2S)-2-[4-(4-ethoxyphenyl)carbonylpiperazin-1-ium-1-yl]-2-(4-fluorophenyl)ethanenitrile Openeye Name: (2S)-2-[4-(4-ethoxybenzoyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetonitrile CAS Name: (2S)-2-[4-[(4-ethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-2-(4-fluorophenyl)acetonitrile IUPAC Name: (2S)-2-[4-(4-ethoxybenzoyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetonitrile Traditional Name: (2S)-2-[4-(4-ethoxybenzoyl)piperazin-1-ium-1-yl]-2-(4-fluorophenyl)acetonitrile Formula: C21H23FN3O2+ MolecularWeight: 368.424623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)[C@H](C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O2/c1-2-27-19-9-5-17(6-10-19)21(26)25-13-11-24(12-14-25)20(15-23)16-3-7-18(22)8-4-16/h3-10,20H,2,11-14H2,1H3/p+1/t20-/m1/s1