methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanoate Openeye Name: methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetate CAS Name: (2S)-2-(4-fluorophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetic acid methyl ester IUPAC Name: methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetate Traditional Name: (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetic acid methyl ester Formula: C19H22FN2O2+ MolecularWeight: 329.388583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)F)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](C1=CC=C(C=C1)F)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H21FN2O2/c1-24-19(23)18(15-7-9-16(20)10-8-15)22-13-11-21(12-14-22)17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3/p+1/t18-/m0/s1