2-[[(2,4-dimethylphenyl)methyl-methyl-azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate

Systemtic Name: 2-[[(2,4-dimethylphenyl)methyl-methyl-azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate Openeye Name: 2-[[(2,4-dimethylphenyl)methyl-methyl-ammonio]methyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 2-[[(2,4-dimethylphenyl)methyl-methylammonio]methyl]-7-methoxycarbonyl-4-quinazolinolate IUPAC Name: 2-[[(2,4-dimethylphenyl)methyl-methylazaniumyl]methyl]-7-methoxycarbonylquinazolin-4-olate Traditional Name: 7-carbomethoxy-2-[[(2,4-dimethylbenzyl)-methyl-ammonio]methyl]quinazolin-4-olate Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+](C)CC2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+](C)CC2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-])C

InChI

InChI=1S/C21H23N3O3/c1-13-5-6-16(14(2)9-13)11-24(3)12-19-22-18-10-15(21(26)27-4)7-8-17(18)20(25)23-19/h5-10H,11-12H2,1-4H3,(H,22,23,25)