azanium 2-azanyl-3-[3-(phosphonomethyl)benzo[g]quinoxalin-2-yl]propanoate

Systemtic Name: azanium 2-azanyl-3-[3-(phosphonomethyl)benzo[g]quinoxalin-2-yl]propanoate Openeye Name: ammonium 2-amino-3-[3-(phosphonomethyl)benzo[g]quinoxalin-2-yl]propanoate CAS Name: ammonium 2-amino-3-[3-(phosphonomethyl)-2-benzo[g]quinoxalinyl]propanoate IUPAC Name: azanium 2-amino-3-[3-(phosphonomethyl)benzo[g]quinoxalin-2-yl]propanoate Traditional Name: ammonium 2-amino-3-[3-(phosphonomethyl)benzo[g]quinoxalin-2-yl]propionate Formula: C16H19N4O5P MolecularWeight: 378.319621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)N=C(C(=N3)CP(=O)(O)O)CC(C(=O)[O-])N.[NH4+]

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)N=C(C(=N3)CP(=O)(O)O)CC(C(=O)[O-])N.[NH4+]

InChI

InChI=1S/C16H16N3O5P.H3N/c17-11(16(20)21)7-14-15(8-25(22,23)24)19-13-6-10-4-2-1-3-9(10)5-12(13)18-14;/h1-6,11H,7-8,17H2,(H,20,21)(H2,22,23,24);1H3