2-[(3-methoxy-4-phenylmethoxy-phenyl)methylsulfanyl]-1-oxidanyl-pyridin-1-ium

Systemtic Name: 2-[(3-methoxy-4-phenylmethoxy-phenyl)methylsulfanyl]-1-oxidanyl-pyridin-1-ium Openeye Name: 2-[(4-benzyloxy-3-methoxy-phenyl)methylsulfanyl]-1-hydroxy-pyridin-1-ium CAS Name: 1-hydroxy-2-[(3-methoxy-4-phenylmethoxyphenyl)methylthio]pyridin-1-ium IUPAC Name: 1-hydroxy-2-[(3-methoxy-4-phenylmethoxyphenyl)methylsulfanyl]pyridin-1-ium Traditional Name: 2-[(4-benzoxy-3-methoxy-benzyl)thio]-1-hydroxy-pyridin-1-ium Formula: C20H20NO3S+ MolecularWeight: 354.4427

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CSC2=CC=CC=[N+]2O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CSC2=CC=CC=[N+]2O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20NO3S/c1-23-19-13-17(15-25-20-9-5-6-12-21(20)22)10-11-18(19)24-14-16-7-3-2-4-8-16/h2-13,22H,14-15H2,1H3/q+1