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

Systemtic Name: (2S)-2-(4-methanoylpiperazin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(4-formylpiperazin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-formyl-1-piperazin-1-iumyl)-2-(2-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-formylpiperazin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-formylpiperazin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)acetate Formula: C16H19N3O3 MolecularWeight: 301.34036

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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

Isomeric SMILES

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

InChI

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