(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(5-methoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)C(C2=CNC3=C2C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C17H21N3O4/c1-11(21)19-5-7-20(8-6-19)16(17(22)23)14-10-18-15-4-3-12(24-2)9-13(14)15/h3-4,9-10,16,18H,5-8H2,1-2H3,(H,22,23)/t16-/m0/s1