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

Systemtic Name: (2S)-2-(1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(1H-indol-3-yl)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetate Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C(C3=CNC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@@H](C3=CNC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C21H23N3O3/c1-27-19-9-5-4-8-18(19)23-10-12-24(13-11-23)20(21(25)26)16-14-22-17-7-3-2-6-15(16)17/h2-9,14,20,22H,10-13H2,1H3,(H,25,26)/t20-/m0/s1