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

Systemtic Name: 5-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-4-chloro-2-phenyl-pyridazin-3-one Formula: C23H22ClN4OS+ MolecularWeight: 437.96498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C23H21ClN4OS/c24-22-20(14-25-28(23(22)29)18-6-2-1-3-7-18)27-12-10-26(11-13-27)15-17-16-30-21-9-5-4-8-19(17)21/h1-9,14,16H,10-13,15H2/p+1