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

Systemtic Name: 2-azanyl-1-methyl-1,5-dihydroimidazol-1-ium-4-one; 2-(5-oxidanyl-1H-indol-3-yl)ethylazanium; sulfate Openeye Name: 2-amino-1-methyl-1,5-dihydroimidazol-1-ium-4-one; 2-(5-hydroxy-1H-indol-3-yl)ethylammonium; sulfate CAS Name: 2-amino-1-methyl-1,5-dihydroimidazol-1-ium-4-one; 2-(5-hydroxy-1H-indol-3-yl)ethylammonium; sulfate IUPAC Name: 2-amino-1-methyl-1,5-dihydroimidazol-1-ium-4-one; 2-(5-hydroxy-1H-indol-3-yl)ethylazanium; sulfate Traditional Name: 2-amino-1-methyl-2-imidazolin-1-ium-4-one; 2-(5-hydroxy-1H-indol-3-yl)ethylammonium; sulfate Formula: C14H21N5O6S MolecularWeight: 387.41144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(=O)N=C1N.C1=CC2=C(C=C1O)C(=CN2)CC[NH3+].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[NH+]1CC(=O)N=C1N.C1=CC2=C(C=C1O)C(=CN2)CC[NH3+].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C10H12N2O.C4H7N3O.H2O4S/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;1-7-2-3(8)6-4(7)5;1-5(2,3)4/h1-2,5-6,12-13H,3-4,11H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4)