4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H18N4O2S/c23-17-15-4-2-1-3-14(15)16(19-20-17)18(24)22-8-6-21(7-9-22)11-13-5-10-25-12-13/h1-5,10,12H,6-9,11H2,(H,20,23)/p+1