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

Systemtic Name: 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-4-chloro-2-phenyl-pyridazin-3-one Formula: C22H21ClN5OS+ MolecularWeight: 438.95304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C22H20ClN5OS/c23-21-18(14-24-28(22(21)29)16-6-2-1-3-7-16)27-12-10-26(11-13-27)15-20-25-17-8-4-5-9-19(17)30-20/h1-9,14H,10-13,15H2/p+1