2-(3,4-dimethoxyphenyl)ethyl-[[3-(2-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-(2-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-(2-ethoxyphenyl)-4-oxo-quinazolin-2-yl]methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-(2-ethoxyphenyl)-4-oxo-2-quinazolinyl]methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]methyl]azanium Traditional Name: homoveratryl-[(4-keto-3-o-phenetyl-quinazolin-2-yl)methyl]ammonium Formula: C27H30N3O4+ MolecularWeight: 460.5448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C[NH2+]CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C[NH2+]CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H29N3O4/c1-4-34-23-12-8-7-11-22(23)30-26(29-21-10-6-5-9-20(21)27(30)31)18-28-16-15-19-13-14-24(32-2)25(17-19)33-3/h5-14,17,28H,4,15-16,18H2,1-3H3/p+1