2-[[4-(4-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(4-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-p-anisoylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C21H23N4O3+ MolecularWeight: 379.43232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H22N4O3/c1-28-16-8-6-15(7-9-16)21(27)25-12-10-24(11-13-25)14-19-22-18-5-3-2-4-17(18)20(26)23-19/h2-9H,10-14H2,1H3,(H,22,23,26)/p+1