4-[(2R)-5-piperidin-1-ium-1-ylpentan-2-yl]sulfanylphenol

Systemtic Name: 4-[(2R)-5-piperidin-1-ium-1-ylpentan-2-yl]sulfanylphenol Openeye Name: 4-[(1R)-1-methyl-4-piperidin-1-ium-1-yl-butyl]sulfanylphenol CAS Name: 4-[[(2R)-5-(1-piperidin-1-iumyl)pentan-2-yl]thio]phenol IUPAC Name: 4-[(2R)-5-piperidin-1-ium-1-ylpentan-2-yl]sulfanylphenol Traditional Name: 4-[[(1R)-1-methyl-4-piperidin-1-ium-1-yl-butyl]thio]phenol Formula: C16H26NOS+ MolecularWeight: 280.44874

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC[NH+]1CCCCC1)SC2=CC=C(C=C2)O

Isomeric SMILES

C[C@H](CCC[NH+]1CCCCC1)SC2=CC=C(C=C2)O

InChI

InChI=1S/C16H25NOS/c1-14(19-16-9-7-15(18)8-10-16)6-5-13-17-11-3-2-4-12-17/h7-10,14,18H,2-6,11-13H2,1H3/p+1/t14-/m1/s1