2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-(trimethylammonio)acetate CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-(trimethylammonio)acetate IUPAC Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid; 2-(trimethylammonio)acetate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

Isomeric SMILES

C[N+](C)(C)CC(=O)[O-].C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

InChI

InChI=1S/C11H12N2O2.C5H11NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-6(2,3)4-5(7)8/h1-4,6,9,13H,5,12H2,(H,14,15);4H2,1-3H3