methyl-[(2-morpholin-4-ylphenyl)methyl]-[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium

Systemtic Name: methyl-[(2-morpholin-4-ylphenyl)methyl]-[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium Openeye Name: methyl-[(2-morpholinophenyl)methyl]-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium CAS Name: methyl-[[2-(4-morpholinyl)phenyl]methyl]-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium IUPAC Name: methyl-[(2-morpholin-4-ylphenyl)methyl]-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium Traditional Name: [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-methyl-(2-morpholinobenzyl)ammonium Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CC3=CC=CC=C3N4CCOCC4

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CC3=CC=CC=C3N4CCOCC4

InChI

InChI=1S/C22H26N4O2/c1-16(21-23-19-9-5-4-8-18(19)22(27)24-21)25(2)15-17-7-3-6-10-20(17)26-11-13-28-14-12-26/h3-10,16H,11-15H2,1-2H3,(H,23,24,27)/p+1/t16-/m0/s1