[(1R)-1-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-ethyl-azanium

Systemtic Name: [(1R)-1-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]-ethyl-azanium Openeye Name: [(1R)-1-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]propyl]-ethyl-ammonium CAS Name: [(1R)-1-[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]propyl]-ethylammonium IUPAC Name: [(1R)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-ethylazanium Traditional Name: [(1R)-1-[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]propyl]-ethyl-ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)C)C)[NH2+]CC

Isomeric SMILES

CC[C@H](C1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)C)C)[NH2+]CC

InChI

InChI=1S/C21H25N3O/c1-5-18(22-6-2)20-23-19-10-8-7-9-17(19)21(25)24(20)16-12-11-14(3)15(4)13-16/h7-13,18,22H,5-6H2,1-4H3/p+1/t18-/m1/s1