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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[(2R)-2-oxidanyl-3-(4-phenylphenoxy)propyl]azanium Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium CAS Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]azanium Traditional Name: (7-chloro-4-keto-1H-quinazolin-2-yl)methyl-ethyl-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]ammonium Formula: C26H27ClN3O3+ MolecularWeight: 464.96388

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C[C@H](COC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H26ClN3O3/c1-2-30(16-25-28-24-14-20(27)10-13-23(24)26(32)29-25)15-21(31)17-33-22-11-8-19(9-12-22)18-6-4-3-5-7-18/h3-14,21,31H,2,15-17H2,1H3,(H,28,29,32)/p+1/t21-/m1/s1