5-chloranyl-4-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one Openeye Name: 5-chloro-4-[4-[(5-phenyl-2-thienyl)methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one CAS Name: 5-chloro-4-[4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-1H-pyridazin-6-one IUPAC Name: 5-chloro-4-[4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one Traditional Name: 5-chloro-4-[4-[(5-phenyl-2-thienyl)methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one Formula: C19H20ClN4OS+ MolecularWeight: 387.9063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3)C4=C(C(=O)NN=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3)C4=C(C(=O)NN=C4)Cl

InChI

InChI=1S/C19H19ClN4OS/c20-18-16(12-21-22-19(18)25)24-10-8-23(9-11-24)13-15-6-7-17(26-15)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,22,25)/p+1