2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C21H25N4O+ MolecularWeight: 349.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C21H24N4O/c1-15-6-5-9-19(16(15)2)25-12-10-24(11-13-25)14-20-22-18-8-4-3-7-17(18)21(26)23-20/h3-9H,10-14H2,1-2H3,(H,22,23,26)/p+1