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

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

Systemtic Name:1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium
Openeye Name:1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium
CAS Name:1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium
IUPAC Name:1,3-benzodioxol-5-ylmethyl-methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium
Traditional Name:(4-keto-1H-quinazolin-2-yl)methyl-methyl-piperonyl-ammonium
Formula: C18H18N3O3+
MolecularWeight: 324.35382
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC(=O)C4=CC=CC=C4N3


Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC(=O)C4=CC=CC=C4N3


InChI

InChI=1S/C18H17N3O3/c1-21(9-12-6-7-15-16(8-12)24-11-23-15)10-17-19-14-5-3-2-4-13(14)18(22)20-17/h2-8H,9-11H2,1H3,(H,19,20,22)/p+1


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