2-(4-chloranylphenoxy)ethyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylazanium Traditional Name: 2-(4-chlorophenoxy)ethyl-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+](CCOC1=CC=C(C=C1)Cl)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CC[NH+](CCOC1=CC=C(C=C1)Cl)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C21H24ClN3O4/c1-4-25(9-10-29-15-7-5-14(22)6-8-15)13-20-23-17-12-19(28-3)18(27-2)11-16(17)21(26)24-20/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,23,24,26)/p+1