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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl-ethyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: (5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl-ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (5-acetyl-2-methoxy-benzyl)-ethyl-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-4-24(12-16-11-15(14(2)25)9-10-19(16)27-3)13-20-22-18-8-6-5-7-17(18)21(26)23-20/h5-11H,4,12-13H2,1-3H3,(H,22,23,26)/p+1