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

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[(3-methoxycarbonylphenyl)methyl]azanium Openeye Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[(3-methoxycarbonylphenyl)methyl]ammonium CAS Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[(3-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[(3-methoxycarbonylphenyl)methyl]azanium Traditional Name: (3-carbomethoxybenzyl)-ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C22H26N3O5+ MolecularWeight: 412.45894

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC(=C1)C(=O)OC)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CC[NH+](CC1=CC=CC(=C1)C(=O)OC)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C22H25N3O5/c1-5-25(12-14-7-6-8-15(9-14)22(27)30-4)13-20-23-17-11-19(29-3)18(28-2)10-16(17)21(26)24-20/h6-11H,5,12-13H2,1-4H3,(H,23,24,26)/p+1