1,3-benzodioxol-5-ylmethyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylazanium Traditional Name: ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]-piperonyl-ammonium Formula: C21H24N3O5+ MolecularWeight: 398.43236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-4-24(10-13-5-6-16-19(7-13)29-12-28-16)11-20-22-15-9-18(27-3)17(26-2)8-14(15)21(25)23-20/h5-9H,4,10-12H2,1-3H3,(H,22,23,25)/p+1