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

Systemtic Name: 5-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-4-ium-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-4-ium-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazin-4-iumyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-4-ium-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-4-ium-1-yl]-4-chloro-2-phenyl-pyridazin-3-one Formula: C23H23ClN5OS+ MolecularWeight: 452.97962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)[NH+]3CCN(CC3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)[NH+]3CCN(CC3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C23H22ClN5OS/c1-16(22-26-18-9-5-6-10-20(18)31-22)27-11-13-28(14-12-27)19-15-25-29(23(30)21(19)24)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3/p+1/t16-/m1/s1