2-azanyl-3-methyl-1,4-dihydroimidazol-3-ium-5-one; 2-[4-fluoranyl-5,6-bis(oxidanyl)-1H-indol-3-yl]ethylazanium; sulfate

Systemtic Name: 2-azanyl-3-methyl-1,4-dihydroimidazol-3-ium-5-one; 2-[4-fluoranyl-5,6-bis(oxidanyl)-1H-indol-3-yl]ethylazanium; sulfate Openeye Name: 2-amino-3-methyl-1,4-dihydroimidazol-3-ium-5-one; 2-(4-fluoro-5,6-dihydroxy-1H-indol-3-yl)ethylammonium; sulfate CAS Name: 2-amino-3-methyl-1,4-dihydroimidazol-3-ium-5-one; 2-(4-fluoro-5,6-dihydroxy-1H-indol-3-yl)ethylammonium; sulfate IUPAC Name: 2-amino-3-methyl-1,4-dihydroimidazol-3-ium-5-one; 2-(4-fluoro-5,6-dihydroxy-1H-indol-3-yl)ethylazanium; sulfate Traditional Name: 2-amino-1-methyl-2-imidazolin-1-ium-4-one; 2-(4-fluoro-5,6-dihydroxy-1H-indol-3-yl)ethylammonium; sulfate Formula: C14H20FN5O7S MolecularWeight: 421.401303

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC(=O)C1)N.C1=C2C(=C(C(=C1O)O)F)C(=CN2)CC[NH3+].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(NC(=O)C1)N.C1=C2C(=C(C(=C1O)O)F)C(=CN2)CC[NH3+].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C10H11FN2O2.C4H7N3O.H2O4S/c11-9-8-5(1-2-12)4-13-6(8)3-7(14)10(9)15;1-7-2-3(8)6-4(7)5;1-5(2,3)4/h3-4,13-15H,1-2,12H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4)