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

Systemtic Name: methyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium CAS Name: methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-isopropylbenzyl)-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-methyl-ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O/c1-14(2)17-11-9-16(10-12-17)13-24(4)15(3)20-22-19-8-6-5-7-18(19)21(25)23-20/h5-12,14-15H,13H2,1-4H3,(H,22,23,25)/p+1/t15-/m1/s1