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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-azanium Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylammonium IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium Traditional Name: [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl-homoveratryl-methyl-ammonium Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C22H24N4O3/c1-25(12-10-16-8-9-19(28-2)20(14-16)29-3)15-21-24-18-7-5-4-6-17(18)22(27)26(21)13-11-23/h4-9,14H,10,12-13,15H2,1-3H3/p+1