diethyl-[2-[(2R)-2-(4-methylphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[(2R)-2-(4-methylphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[(2R)-4-oxo-2-(p-tolyl)-1,2-dihydroquinazolin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[(2R)-2-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[(2R)-2-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]ethyl]azanium Traditional Name: diethyl-[2-[(2R)-4-keto-2-(p-tolyl)-1,2-dihydroquinazolin-3-yl]ethyl]ammonium Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H27N3O/c1-4-23(5-2)14-15-24-20(17-12-10-16(3)11-13-17)22-19-9-7-6-8-18(19)21(24)25/h6-13,20,22H,4-5,14-15H2,1-3H3/p+1/t20-/m1/s1