1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxidanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]azanium Traditional Name: (4-keto-1H-benzofuro[3,2-d]pyrimidin-2-yl)methyl-methyl-piperonyl-ammonium Formula: C20H18N3O4+ MolecularWeight: 364.37462

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

InChI

InChI=1S/C20H17N3O4/c1-23(9-12-6-7-15-16(8-12)26-11-25-15)10-17-21-18-13-4-2-3-5-14(13)27-19(18)20(24)22-17/h2-8H,9-11H2,1H3,(H,21,22,24)/p+1