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

Systemtic Name: 2-[(2S)-2-(4-dimethylaminophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2S)-2-(4-dimethylaminophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2S)-2-(4-dimethylaminophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]ethyl-diethylammonium IUPAC Name: 2-[(2S)-2-(4-dimethylaminophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]ethyl-diethylazanium Traditional Name: 2-[(2S)-2-(4-dimethylaminophenyl)-4-keto-1,2-dihydroquinazolin-3-yl]ethyl-diethyl-ammonium Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-5-25(6-2)15-16-26-21(17-11-13-18(14-12-17)24(3)4)23-20-10-8-7-9-19(20)22(26)27/h7-14,21,23H,5-6,15-16H2,1-4H3/p+1/t21-/m0/s1