2-[[4-(2-ethylbutanoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(2-ethylbutanoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2-ethylbutanoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(2-ethyl-1-oxobutyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2-ethylbutanoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2-ethylbutanoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C19H27N4O2+ MolecularWeight: 343.44328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CC[NH+](CC1)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCC(CC)C(=O)N1CC[NH+](CC1)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H26N4O2/c1-3-14(4-2)19(25)23-11-9-22(10-12-23)13-17-20-16-8-6-5-7-15(16)18(24)21-17/h5-8,14H,3-4,9-13H2,1-2H3,(H,20,21,24)/p+1