(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(7-methoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(7-methoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(7-methoxy-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-(7-methoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(7-methoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-(7-methoxy-1H-indol-3-yl)acetate Formula: C21H22FN3O3 MolecularWeight: 383.416083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC2=C1NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O3/c1-28-18-4-2-3-16-17(13-23-19(16)18)20(21(26)27)25-11-9-24(10-12-25)15-7-5-14(22)6-8-15/h2-8,13,20,23H,9-12H2,1H3,(H,26,27)/t20-/m0/s1