[2-[(E)-(2-ethyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-[(E)-(2-ethyl-4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-[(E)-(2-ethyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-[(E)-(2-ethyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] ester IUPAC Name: [2-[(E)-(2-ethyl-4-oxo-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-[(E)-(2-ethyl-4-keto-4aH-quinazolin-3-ium-3-yl)iminomethyl]phenyl] ester Formula: C27H26N3O6+ MolecularWeight: 488.51184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C(=O)C2C=CC=CC2=N1)N=CC3=CC=CC=C3OC(=O)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CCC1=[N+](C(=O)C2C=CC=CC2=N1)/N=C/C3=CC=CC=C3OC(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C27H26N3O6/c1-5-24-29-20-12-8-7-11-19(20)26(31)30(24)28-16-17-10-6-9-13-21(17)36-27(32)18-14-22(33-2)25(35-4)23(15-18)34-3/h6-16,19H,5H2,1-4H3/q+1/b28-16+