6-methyl-1-phenyl-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one

Systemtic Name: 6-methyl-1-phenyl-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridazin-4-one Openeye Name: 6-methyl-1-phenyl-3-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]pyridazin-4-one CAS Name: 6-methyl-3-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-1-phenyl-4-pyridazinone IUPAC Name: 6-methyl-1-phenyl-3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]pyridazin-4-one Traditional Name: 6-methyl-1-phenyl-3-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]pyridazin-4-one Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C21H22N4O2S/c1-16-13-19(26)20(22-25(16)18-5-3-2-4-6-18)21(27)24-10-8-23(9-11-24)14-17-7-12-28-15-17/h2-7,12-13,15H,8-11,14H2,1H3/p+1