2-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[4-(8-methyl-4-oxo-quinazolin-3-yl)butanoylamino]ethyl]ammonium CAS Name: 2-[[4-(8-methyl-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[4-(4-keto-8-methyl-quinazolin-3-yl)butanoylamino]ethyl]ammonium Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NCC[NH+](C(C)C)C(C)C

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NCC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C21H32N4O2/c1-15(2)25(16(3)4)13-11-22-19(26)10-7-12-24-14-23-20-17(5)8-6-9-18(20)21(24)27/h6,8-9,14-16H,7,10-13H2,1-5H3,(H,22,26)/p+1