(4-tert-butylphenyl)methyl-methyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium

Systemtic Name: (4-tert-butylphenyl)methyl-methyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium Openeye Name: (4-tert-butylphenyl)methyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium CAS Name: (4-tert-butylphenyl)methyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium IUPAC Name: (4-tert-butylphenyl)methyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium Traditional Name: (4-tert-butylbenzyl)-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-methyl-ammonium Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H27N3O/c1-15(20-23-19-9-7-6-8-18(19)21(26)24-20)25(5)14-16-10-12-17(13-11-16)22(2,3)4/h6-13,15H,14H2,1-5H3,(H,23,24,26)/p+1/t15-/m1/s1