5-[4-(1-benzothiophen-2-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one

Systemtic Name: 5-[4-(1-benzothiophen-2-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one Openeye Name: 5-[4-(benzothiophen-2-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one CAS Name: 5-[4-(1-benzothiophen-2-ylmethyl)-1-piperazin-4-iumyl]-2-methyl-3-pyridazinone IUPAC Name: 5-[4-(1-benzothiophen-2-ylmethyl)piperazin-4-ium-1-yl]-2-methylpyridazin-3-one Traditional Name: 5-[4-(benzothiophen-2-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-pyridazin-3-one Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C18H20N4OS/c1-20-18(23)11-15(12-19-20)22-8-6-21(7-9-22)13-16-10-14-4-2-3-5-17(14)24-16/h2-5,10-12H,6-9,13H2,1H3/p+1