(2S)-2-[(2S)-2-aminocarbonylpyrrolidin-1-ium-1-yl]-2-(5-chloranyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-[(2S)-2-aminocarbonylpyrrolidin-1-ium-1-yl]-2-(5-chloranyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]-2-(5-chloro-1H-indol-3-yl)acetate CAS Name: (2S)-2-[(2S)-2-carbamoyl-1-pyrrolidin-1-iumyl]-2-(5-chloro-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]-2-(5-chloro-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[(2S)-2-carbamoylpyrrolidin-1-ium-1-yl]-2-(5-chloro-1H-indol-3-yl)acetate Formula: C15H16ClN3O3 MolecularWeight: 321.75884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)C(C2=CNC3=C2C=C(C=C3)Cl)C(=O)[O-])C(=O)N

Isomeric SMILES

C1C[C@H]([NH+](C1)[C@@H](C2=CNC3=C2C=C(C=C3)Cl)C(=O)[O-])C(=O)N

InChI

InChI=1S/C15H16ClN3O3/c16-8-3-4-11-9(6-8)10(7-18-11)13(15(21)22)19-5-1-2-12(19)14(17)20/h3-4,6-7,12-13,18H,1-2,5H2,(H2,17,20)(H,21,22)/t12-,13-/m0/s1