(2R)-2-(1H-indol-3-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2R)-2-(1H-indol-3-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanoate Openeye Name: (2R)-2-(1H-indol-3-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetate CAS Name: (2R)-2-(1H-indol-3-yl)-2-(3-oxo-1-piperazin-1-iumyl)acetate IUPAC Name: (2R)-2-(1H-indol-3-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetate Traditional Name: (2R)-2-(1H-indol-3-yl)-2-(3-ketopiperazin-1-ium-1-yl)acetate Formula: C14H15N3O3 MolecularWeight: 273.2872

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)C(C2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC(=O)N1)[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C14H15N3O3/c18-12-8-17(6-5-15-12)13(14(19)20)10-7-16-11-4-2-1-3-9(10)11/h1-4,7,13,16H,5-6,8H2,(H,15,18)(H,19,20)/t13-/m1/s1