2-methyl-5-[4-[(3S)-thiolan-3-yl]piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 2-methyl-5-[4-[(3S)-thiolan-3-yl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[(3S)-tetrahydrothiophen-3-yl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[(3S)-3-thiolanyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[(3S)-thiolan-3-yl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-[(3S)-tetrahydrothiophen-3-yl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C13H21N4OS+ MolecularWeight: 281.39704

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)C3CCSC3

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)[C@H]3CCSC3

InChI

InChI=1S/C13H20N4OS/c1-15-13(18)8-12(9-14-15)17-5-3-16(4-6-17)11-2-7-19-10-11/h8-9,11H,2-7,10H2,1H3/p+1/t11-/m0/s1