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

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-(3-thenyl)piperazin-4-ium-1-yl]pyridazin-3-one Formula: C19H20ClN4OS+ MolecularWeight: 387.9063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

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