[2-(4-azanyl-2,5-dimethyl-phenyl)-2-oxidanylidene-ethyl]-(2-hydroxyethyl)-dimethyl-azanium phosphate

Systemtic Name: [2-(4-azanyl-2,5-dimethyl-phenyl)-2-oxidanylidene-ethyl]-(2-hydroxyethyl)-dimethyl-azanium phosphate Openeye Name: [2-(4-amino-2,5-dimethyl-phenyl)-2-oxo-ethyl]-(2-hydroxyethyl)-dimethyl-ammonium phosphate CAS Name: [2-(4-amino-2,5-dimethylphenyl)-2-oxoethyl]-(2-hydroxyethyl)-dimethylammonium phosphate IUPAC Name: [2-(4-amino-2,5-dimethylphenyl)-2-oxoethyl]-(2-hydroxyethyl)-dimethylazanium phosphate Traditional Name: [2-(4-amino-2,5-dimethyl-phenyl)-2-keto-ethyl]-(2-hydroxyethyl)-dimethyl-ammonium phosphate Formula: C42H69N6O10P MolecularWeight: 849.005221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C[N+](C)(C)CCO)C)N.CC1=CC(=C(C=C1C(=O)C[N+](C)(C)CCO)C)N.CC1=CC(=C(C=C1C(=O)C[N+](C)(C)CCO)C)N.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C[N+](C)(C)CCO)C)N.CC1=CC(=C(C=C1C(=O)C[N+](C)(C)CCO)C)N.CC1=CC(=C(C=C1C(=O)C[N+](C)(C)CCO)C)N.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/3C14H22N2O2.H3O4P/c3*1-10-8-13(15)11(2)7-12(10)14(18)9-16(3,4)5-6-17;1-5(2,3)4/h3*7-8,17H,5-6,9H2,1-4H3,(H-,15,18);(H3,1,2,3,4)