2-[[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[[5-(2-chlorophenyl)-2-thiophenyl]methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C24H24ClN4OS+ MolecularWeight: 451.99156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=C(S4)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=C(S4)C5=CC=CC=C5Cl

InChI

InChI=1S/C24H23ClN4OS/c25-20-7-3-1-5-18(20)22-10-9-17(31-22)15-28-11-13-29(14-12-28)16-23-26-21-8-4-2-6-19(21)24(30)27-23/h1-10H,11-16H2,(H,26,27,30)/p+1