diethyl-[(2S)-3-methyl-1-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]butan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-3-methyl-1-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]butan-2-yl]azanium Openeye Name: diethyl-[(1S)-2-methyl-1-[[4-(4-oxoquinazolin-3-yl)butanoylamino]methyl]propyl]ammonium CAS Name: diethyl-[(2S)-3-methyl-1-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]butan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-3-methyl-1-[4-(4-oxoquinazolin-3-yl)butanoylamino]butan-2-yl]azanium Traditional Name: diethyl-[(1S)-1-[[4-(4-ketoquinazolin-3-yl)butanoylamino]methyl]-2-methyl-propyl]ammonium Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)CCCN1C=NC2=CC=CC=C2C1=O)C(C)C

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)CCCN1C=NC2=CC=CC=C2C1=O)C(C)C

InChI

InChI=1S/C21H32N4O2/c1-5-24(6-2)19(16(3)4)14-22-20(26)12-9-13-25-15-23-18-11-8-7-10-17(18)21(25)27/h7-8,10-11,15-16,19H,5-6,9,12-14H2,1-4H3,(H,22,26)/p+1/t19-/m1/s1