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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[(2R)-2-oxidanyl-3-phenoxy-propyl]-propyl-azanium Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(2R)-2-hydroxy-3-phenoxy-propyl]-propyl-ammonium CAS Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]-propylammonium IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]-propylazanium Traditional Name: (7-chloro-4-keto-1H-quinazolin-2-yl)methyl-[(2R)-2-hydroxy-3-phenoxy-propyl]-propyl-ammonium Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c1-2-10-25(12-16(26)14-28-17-6-4-3-5-7-17)13-20-23-19-11-15(22)8-9-18(19)21(27)24-20/h3-9,11,16,26H,2,10,12-14H2,1H3,(H,23,24,27)/p+1/t16-/m1/s1