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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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