(2S)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-2-(5-methoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetate Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)C(C3=CNC4=C3C=C(C=C4)OC)C(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)[C@@H](C3=CNC4=C3C=C(C=C4)OC)C(=O)[O-]

InChI

InChI=1S/C23H25N3O4/c1-15(27)16-3-5-17(6-4-16)25-9-11-26(12-10-25)22(23(28)29)20-14-24-21-8-7-18(30-2)13-19(20)21/h3-8,13-14,22,24H,9-12H2,1-2H3,(H,28,29)/t22-/m0/s1