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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl]-methylazanium Traditional Name: [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl-methyl-piperonyl-ammonium Formula: C20H19N4O3+ MolecularWeight: 363.38986

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3/c1-23(11-14-6-7-17-18(10-14)27-13-26-17)12-19-22-16-5-3-2-4-15(16)20(25)24(19)9-8-21/h2-7,10H,9,11-13H2,1H3/p+1