2-[[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-[(5-phenyl-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-[(5-phenyl-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C24H25N4OS+ MolecularWeight: 417.5465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)CC4=CC=C(S4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)CC4=CC=C(S4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N4OS/c29-24-22-9-5-4-8-20(22)16-25-28(24)18-27-14-12-26(13-15-27)17-21-10-11-23(30-21)19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2/p+1