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

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl-(1,3-benzodioxol-5-ylmethyl)-methyl-azanium Openeye Name: [3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl-(1,3-benzodioxol-5-ylmethyl)-methyl-ammonium CAS Name: [3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl-(1,3-benzodioxol-5-ylmethyl)-methylammonium IUPAC Name: [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl-(1,3-benzodioxol-5-ylmethyl)-methylazanium Traditional Name: [3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl-methyl-piperonyl-ammonium Formula: C20H21N4O4+ MolecularWeight: 381.40514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N

InChI

InChI=1S/C20H20N4O4/c1-23(9-13-6-7-16-17(8-13)28-12-27-16)11-19-22-15-5-3-2-4-14(15)20(26)24(19)10-18(21)25/h2-8H,9-12H2,1H3,(H2,21,25)/p+1