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

Systemtic Name: (2S)-2-(5-bromanyl-1H-indol-3-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(5-bromo-1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(5-bromo-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(5-bromo-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(5-bromo-1H-indol-3-yl)acetate Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O3/c1-10(21)19-4-6-20(7-5-19)15(16(22)23)13-9-18-14-3-2-11(17)8-12(13)14/h2-3,8-9,15,18H,4-7H2,1H3,(H,22,23)/t15-/m0/s1