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

Systemtic Name: [2-methoxy-4-[(4-oxidanylidene-2-propan-2-yl-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(2-isopropyl-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 [2-methoxy-4-[(4-oxo-2-propan-2-yl-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(4-oxo-2-propan-2-yl-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(2-isopropyl-4-keto-4aH-quinazolin-3-ium-3-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C27H24N3O6+ MolecularWeight: 486.49596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C(=O)C2C=CC=CC2=N1)N=CC3=CC(=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

CC(C)C1=[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/C27H24N3O6/c1-16(2)25-29-20-7-5-4-6-19(20)26(31)30(25)28-14-17-8-10-22(23(12-17)33-3)36-27(32)18-9-11-21-24(13-18)35-15-34-21/h4-14,16,19H,15H2,1-3H3/q+1