2-(4-chloranylphenoxy)ethyl-[[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-methyl-azanium

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-[[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-methyl-azanium Openeye Name: 2-(4-chlorophenoxy)ethyl-[[3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl]-methyl-ammonium CAS Name: 2-(4-chlorophenoxy)ethyl-[[3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl]-methylammonium IUPAC Name: 2-(4-chlorophenoxy)ethyl-[[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl]-methylazanium Traditional Name: 2-(4-chlorophenoxy)ethyl-[[3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl]-methyl-ammonium Formula: C20H20ClN4O2+ MolecularWeight: 383.8514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Cl)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Cl)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C20H19ClN4O2/c1-24(12-13-27-16-8-6-15(21)7-9-16)14-19-23-18-5-3-2-4-17(18)20(26)25(19)11-10-22/h2-9H,11-14H2,1H3/p+1