[(1R)-2-methyl-1-(4-propylphenyl)propyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@@H](C(C)C)[NH2+]CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H27N3O/c1-4-7-16-10-12-17(13-11-16)21(15(2)3)23-14-20-24-19-9-6-5-8-18(19)22(26)25-20/h5-6,8-13,15,21,23H,4,7,14H2,1-3H3,(H,24,25,26)/p+1/t21-/m1/s1