triazanium 2-azanyl-3-[3-(phosphonatomethyl)benzo[g]quinoxalin-2-yl]propanoate

Systemtic Name: triazanium 2-azanyl-3-[3-(phosphonatomethyl)benzo[g]quinoxalin-2-yl]propanoate Openeye Name: triammonium 2-amino-3-[3-(phosphonatomethyl)benzo[g]quinoxalin-2-yl]propanoate CAS Name: triammonium 2-amino-3-[3-(phosphonatomethyl)-2-benzo[g]quinoxalinyl]propanoate IUPAC Name: triazanium 2-amino-3-[3-(phosphonatomethyl)benzo[g]quinoxalin-2-yl]propanoate Traditional Name: triammonium 2-amino-3-[3-(phosphonatomethyl)benzo[g]quinoxalin-2-yl]propionate Formula: C16H25N6O5P MolecularWeight: 412.380661

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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+].[NH4+].[NH4+]

Isomeric SMILES

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

InChI

InChI=1S/C16H16N3O5P.3H3N/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);3*1H3