ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azanium

Systemtic Name: ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azanium Openeye Name: ethyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: ethyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: ethyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: ethyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C26H28N3O3+ MolecularWeight: 430.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)C[C@H](COC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H27N3O3/c1-2-29(17-25-27-24-11-7-6-10-23(24)26(31)28-25)16-21(30)18-32-22-14-12-20(13-15-22)19-8-4-3-5-9-19/h3-15,21,30H,2,16-18H2,1H3,(H,27,28,31)/p+1/t21-/m1/s1