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

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl-methyl-[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium Openeye Name: (2-methoxy-5-methyl-phenyl)methyl-methyl-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium CAS Name: (2-methoxy-5-methylphenyl)methyl-methyl-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium IUPAC Name: (2-methoxy-5-methylphenyl)methyl-methyl-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium Traditional Name: [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C20H24N3O2+ MolecularWeight: 338.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+](C)C(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+](C)[C@@H](C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H23N3O2/c1-13-9-10-18(25-4)15(11-13)12-23(3)14(2)19-21-17-8-6-5-7-16(17)20(24)22-19/h5-11,14H,12H2,1-4H3,(H,21,22,24)/p+1/t14-/m0/s1