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

Systemtic Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetate Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C(C3=CNC4=C3C=CC=C4OC)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@@H](C3=CNC4=C3C=CC=C4OC)C(=O)[O-]

InChI

InChI=1S/C22H25N3O4/c1-28-16-8-6-15(7-9-16)24-10-12-25(13-11-24)21(22(26)27)18-14-23-20-17(18)4-3-5-19(20)29-2/h3-9,14,21,23H,10-13H2,1-2H3,(H,26,27)/t21-/m0/s1