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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-methyl-[2-(2-methylphenoxy)ethyl]azanium Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl-methyl-[2-(2-methylphenoxy)ethyl]ammonium CAS Name: [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl-methyl-[2-(2-methylphenoxy)ethyl]ammonium IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl-methyl-[2-(2-methylphenoxy)ethyl]azanium Traditional Name: [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl-methyl-[2-(2-methylphenoxy)ethyl]ammonium Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC[NH+](C)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC1=CC=CC=C1OCC[NH+](C)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C21H22N4O2/c1-16-7-3-6-10-19(16)27-14-13-24(2)15-20-23-18-9-5-4-8-17(18)21(26)25(20)12-11-22/h3-10H,12-15H2,1-2H3/p+1