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

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(2-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)acetate Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C17H21N3O3/c1-11-15(13-5-3-4-6-14(13)18-11)16(17(22)23)20-9-7-19(8-10-20)12(2)21/h3-6,16,18H,7-10H2,1-2H3,(H,22,23)/t16-/m0/s1