1-[4-[[(3R,4R)-4-morpholin-4-ium-4-yl-3-oxidanyl-piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[(3R,4R)-4-morpholin-4-ium-4-yl-3-oxidanyl-piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[(3R,4R)-3-hydroxy-4-morpholin-4-ium-4-yl-piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[(3R,4R)-3-hydroxy-4-(4-morpholin-4-iumyl)-1-piperidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[(3R,4R)-3-hydroxy-4-morpholin-4-ium-4-ylpiperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[(3R,4R)-3-hydroxy-4-morpholin-4-ium-4-yl-piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone Formula: C16H26N2O3S+2 MolecularWeight: 326.45424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCC(C(C2)O)[NH+]3CCOCC3

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCOCC3

InChI

InChI=1S/C16H24N2O3S/c1-12(19)16-8-13(11-22-16)9-17-3-2-14(15(20)10-17)18-4-6-21-7-5-18/h8,11,14-15,20H,2-7,9-10H2,1H3/p+2/t14-,15-/m1/s1