(2S)-2-(6-acetamido-1H-indol-3-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2S)-2-(6-acetamido-1H-indol-3-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2S)-2-(6-acetamido-1H-indol-3-yl)-2-(4-acetylpiperazin-1-ium-1-yl)acetate CAS Name: (2S)-2-(6-acetamido-1H-indol-3-yl)-2-(4-acetyl-1-piperazin-1-iumyl)acetate IUPAC Name: (2S)-2-(6-acetamido-1H-indol-3-yl)-2-(4-acetylpiperazin-1-ium-1-yl)acetate Traditional Name: (2S)-2-(6-acetamido-1H-indol-3-yl)-2-(4-acetylpiperazin-1-ium-1-yl)acetate Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CN2)C(C(=O)[O-])[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CN2)[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C18H22N4O4/c1-11(23)20-13-3-4-14-15(10-19-16(14)9-13)17(18(25)26)22-7-5-21(6-8-22)12(2)24/h3-4,9-10,17,19H,5-8H2,1-2H3,(H,20,23)(H,25,26)/t17-/m0/s1