3-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]-2-propylsulfanyl-propan-1-ol

Systemtic Name: 3-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]-2-propylsulfanyl-propan-1-ol Openeye Name: 3-[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]-2-propylsulfanyl-propan-1-ol CAS Name: 3-[4-[5-(4-methoxyphenyl)-2-oxazolyl]-1-pyridin-1-iumyl]-2-(propylthio)-1-propanol IUPAC Name: 3-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]pyridin-1-ium-1-yl]-2-propylsulfanylpropan-1-ol Traditional Name: 3-[4-[5-(4-methoxyphenyl)oxazol-2-yl]pyridin-1-ium-1-yl]-2-(propylthio)propan-1-ol Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(C[N+]1=CC=C(C=C1)C2=NC=C(O2)C3=CC=C(C=C3)OC)CO

Isomeric SMILES

CCCSC(C[N+]1=CC=C(C=C1)C2=NC=C(O2)C3=CC=C(C=C3)OC)CO

InChI

InChI=1S/C21H25N2O3S/c1-3-12-27-19(15-24)14-23-10-8-17(9-11-23)21-22-13-20(26-21)16-4-6-18(25-2)7-5-16/h4-11,13,19,24H,3,12,14-15H2,1-2H3/q+1