2-[[1,3-benzodioxol-5-ylmethyl(methyl)azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl(methyl)azaniumyl]methyl]-7-methoxycarbonyl-quinazolin-4-olate Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(methyl)ammonio]methyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl(methyl)ammonio]methyl]-7-methoxycarbonyl-4-quinazolinolate IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl(methyl)azaniumyl]methyl]-7-methoxycarbonylquinazolin-4-olate Traditional Name: 7-carbomethoxy-2-[[methyl(piperonyl)ammonio]methyl]quinazolin-4-olate Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC4=C(C=CC(=C4)C(=O)OC)C(=N3)[O-]

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC4=C(C=CC(=C4)C(=O)OC)C(=N3)[O-]

InChI

InChI=1S/C20H19N3O5/c1-23(9-12-3-6-16-17(7-12)28-11-27-16)10-18-21-15-8-13(20(25)26-2)4-5-14(15)19(24)22-18/h3-8H,9-11H2,1-2H3,(H,21,22,24)