2-methyl-5-[4-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 2-methyl-5-[4-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[[5-[(2R)-tetrahydropyran-2-yl]-2-thienyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[[5-[(2R)-2-oxanyl]-2-thiophenyl]methyl]-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-[[5-[(2R)-tetrahydropyran-2-yl]-2-thienyl]methyl]piperazin-4-ium-1-yl]pyridazin-3-one Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=C(S3)C4CCCCO4

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CC[NH+](CC2)CC3=CC=C(S3)[C@H]4CCCCO4

InChI

InChI=1S/C19H26N4O2S/c1-21-19(24)12-15(13-20-21)23-9-7-22(8-10-23)14-16-5-6-18(26-16)17-4-2-3-11-25-17/h5-6,12-13,17H,2-4,7-11,14H2,1H3/p+1/t17-/m1/s1