(2R)-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylsulfanyl-propan-2-ol

Systemtic Name: (2R)-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylsulfanyl-propan-2-ol Openeye Name: (2R)-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylsulfanyl-propan-2-ol CAS Name: (2R)-1-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(phenylthio)-2-propanol IUPAC Name: (2R)-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylsulfanylpropan-2-ol Traditional Name: (2R)-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(phenylthio)propan-2-ol Formula: C16H21N2OS+ MolecularWeight: 289.41574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(CSC2=CC=CC=C2)O

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C[C@H](CSC2=CC=CC=C2)O

InChI

InChI=1S/C16H21N2OS/c1-17(2)14-8-10-18(11-9-14)12-15(19)13-20-16-6-4-3-5-7-16/h3-11,15,19H,12-13H2,1-2H3/q+1/t15-/m1/s1