1,3-benzodioxol-5-ylmethyl-[[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]methyl]azanium Traditional Name: [4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]methyl-piperonyl-ammonium Formula: C24H22N3O4+ MolecularWeight: 416.44918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C[NH2+]CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C[NH2+]CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21N3O4/c1-29-18-9-7-17(8-10-18)27-23(26-20-5-3-2-4-19(20)24(27)28)14-25-13-16-6-11-21-22(12-16)31-15-30-21/h2-12,25H,13-15H2,1H3/p+1