3-(2-azanylethyl)-1H-indole-5,6-diol; 2-azanyl-3-methyl-4H-imidazol-5-one; sulfuric acid; hydrate

Systemtic Name: 3-(2-azanylethyl)-1H-indole-5,6-diol; 2-azanyl-3-methyl-4H-imidazol-5-one; sulfuric acid; hydrate Openeye Name: 3-(2-aminoethyl)-1H-indole-5,6-diol; 2-amino-3-methyl-4H-imidazol-5-one; sulfuric acid; hydrate CAS Name: 3-(2-aminoethyl)-1H-indole-5,6-diol; 2-amino-3-methyl-4H-imidazol-5-one; sulfuric acid; hydrate IUPAC Name: 3-(2-aminoethyl)-1H-indole-5,6-diol; 2-amino-3-methyl-4H-imidazol-5-one; sulfuric acid; hydrate Traditional Name: 3-(2-aminoethyl)-1H-indole-5,6-diol; 2-amino-1-methyl-2-imidazolin-4-one; sulfuric acid; hydrate Formula: C14H23N5O8S MolecularWeight: 421.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)N=C1N.C1=C2C(=CC(=C1O)O)NC=C2CCN.O.OS(=O)(=O)O

Isomeric SMILES

CN1CC(=O)N=C1N.C1=C2C(=CC(=C1O)O)NC=C2CCN.O.OS(=O)(=O)O

InChI

InChI=1S/C10H12N2O2.C4H7N3O.H2O4S.H2O/c11-2-1-6-5-12-8-4-10(14)9(13)3-7(6)8;1-7-2-3(8)6-4(7)5;1-5(2,3)4;/h3-5,12-14H,1-2,11H2;2H2,1H3,(H2,5,6,8);(H2,1,2,3,4);1H2