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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC(C[N+]1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)OC)O

Isomeric SMILES

CCCSCC(C[N+]1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)OC)O

InChI

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