[4-[(2-ethyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)iminomethyl]-2-methoxy-phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-[(2-ethyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)iminomethyl]-2-methoxy-phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(2-ethyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]-2-methoxy-phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(2-ethyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(2-ethyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]-2-methoxyphenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(2-ethyl-4-keto-4aH-quinazolin-3-ium-3-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C26H22N3O6+ MolecularWeight: 472.46938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=O)C2C=CC=CC2=N1)N=CC3=CC(=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

CCC1=[N+](C(=O)C2C=CC=CC2=N1)N=CC3=CC(=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C26H22N3O6/c1-3-24-28-19-7-5-4-6-18(19)25(30)29(24)27-14-16-8-10-21(22(12-16)32-2)35-26(31)17-9-11-20-23(13-17)34-15-33-20/h4-14,18H,3,15H2,1-2H3/q+1