(5-ethanoyl-2-ethoxy-phenyl)methyl-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: (5-acetyl-2-ethoxyphenyl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (5-acetyl-2-ethoxy-benzyl)-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-4-25(13-17-12-16(15(3)26)10-11-20(17)28-5-2)14-21-23-19-9-7-6-8-18(19)22(27)24-21/h6-12H,4-5,13-14H2,1-3H3,(H,23,24,27)/p+1