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

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(1H-indol-3-yl)acetate Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)C(C2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)[C@@H](C2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C16H19N3O3/c1-11(20)18-6-8-19(9-7-18)15(16(21)22)13-10-17-14-5-3-2-4-12(13)14/h2-5,10,15,17H,6-9H2,1H3,(H,21,22)/t15-/m0/s1