2-[1-(3-isothiocyanatopropyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole

Systemtic Name: 2-[1-(3-isothiocyanatopropyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole Openeye Name: 2-[1-(3-isothiocyanatopropyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)oxazole CAS Name: 2-[1-(3-isothiocyanatopropyl)-4-pyridin-1-iumyl]-5-(4-methoxyphenyl)oxazole IUPAC Name: 2-[1-(3-isothiocyanatopropyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole Traditional Name: 2-[1-(3-isothiocyanatopropyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)oxazole Formula: C19H18N3O2S+ MolecularWeight: 352.43012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CCCN=C=S

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CCCN=C=S

InChI

InChI=1S/C19H18N3O2S/c1-23-17-5-3-15(4-6-17)18-13-21-19(24-18)16-7-11-22(12-8-16)10-2-9-20-14-25/h3-8,11-13H,2,9-10H2,1H3/q+1