(5-chloranyl-2-methoxy-phenyl)methyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylazanium Traditional Name: (5-chloro-2-methoxy-benzyl)-ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H25ClN3O4+ MolecularWeight: 418.8939

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=CC(=C1)Cl)OC)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CC[NH+](CC1=C(C=CC(=C1)Cl)OC)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C21H24ClN3O4/c1-5-25(11-13-8-14(22)6-7-17(13)27-2)12-20-23-16-10-19(29-4)18(28-3)9-15(16)21(26)24-20/h6-10H,5,11-12H2,1-4H3,(H,23,24,26)/p+1