(3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[3-(methylthio)propyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[3-(methylthio)propyl]piperidin-1-ium-3-ol Formula: C15H32N2OS+2 MolecularWeight: 288.49238

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCC(C(C1)O)[NH+]2CCCCCC2

Isomeric SMILES

CSCCC[NH+]1CC[C@H]([C@@H](C1)O)[NH+]2CCCCCC2

InChI

InChI=1S/C15H30N2OS/c1-19-12-6-8-16-11-7-14(15(18)13-16)17-9-4-2-3-5-10-17/h14-15,18H,2-13H2,1H3/p+2/t14-,15-/m1/s1