2-(3,5-dimethylphenoxy)ethyl-methyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl-methyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium Openeye Name: 2-(3,5-dimethylphenoxy)ethyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium CAS Name: 2-(3,5-dimethylphenoxy)ethyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium Traditional Name: 2-(3,5-dimethylphenoxy)ethyl-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-methyl-ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2/c1-14-11-15(2)13-17(12-14)26-10-9-24(4)16(3)20-22-19-8-6-5-7-18(19)21(25)23-20/h5-8,11-13,16H,9-10H2,1-4H3,(H,22,23,25)/p+1/t16-/m1/s1