2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-(4-methoxyphenyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-(4-methoxyphenyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-(4-methoxyphenyl)-4aH-quinazolin-3-ium-4-one CAS Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-(4-methoxyphenyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-(4-methoxyphenyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(4-methoxyphenyl)-2-[(piperonylamino)methyl]-4aH-quinazolin-3-ium-4-one Formula: C24H22N3O4+ MolecularWeight: 416.44918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2=C(N=C3C=CC=CC3C2=O)CNCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2=C(N=C3C=CC=CC3C2=O)CNCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H22N3O4/c1-29-18-9-7-17(8-10-18)27-23(26-20-5-3-2-4-19(20)24(27)28)14-25-13-16-6-11-21-22(12-16)31-15-30-21/h2-12,19,25H,13-15H2,1H3/q+1