2-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]ethanol; sulfuric acid

Systemtic Name: 2-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]ethanol; sulfuric acid Openeye Name: 2-(4-amino-N-ethyl-3-methyl-anilino)ethanol; sulfuric acid CAS Name: 2-(4-amino-N-ethyl-3-methylanilino)ethanol; sulfuric acid IUPAC Name: 2-(4-amino-N-ethyl-3-methylanilino)ethanol; sulfuric acid Traditional Name: 2-(4-amino-N-ethyl-3-methyl-anilino)ethanol; sulfuric acid Formula: C44H82N8O24S5 MolecularWeight: 1267.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C1=CC(=C(C=C1)N)C.CCN(CCO)C1=CC(=C(C=C1)N)C.CCN(CCO)C1=CC(=C(C=C1)N)C.CCN(CCO)C1=CC(=C(C=C1)N)C.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

Isomeric SMILES

CCN(CCO)C1=CC(=C(C=C1)N)C.CCN(CCO)C1=CC(=C(C=C1)N)C.CCN(CCO)C1=CC(=C(C=C1)N)C.CCN(CCO)C1=CC(=C(C=C1)N)C.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

InChI

InChI=1S/4C11H18N2O.5H2O4S/c4*1-3-13(6-7-14)10-4-5-11(12)9(2)8-10;5*1-5(2,3)4/h4*4-5,8,14H,3,6-7,12H2,1-2H3;5*(H2,1,2,3,4)