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

Systemtic Name: 5-[1-[3-(4-isothiocyanatophenyl)propyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole Openeye Name: 5-[1-[3-(4-isothiocyanatophenyl)propyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)oxazole CAS Name: 5-[1-[3-(4-isothiocyanatophenyl)propyl]-4-pyridin-1-iumyl]-2-(4-methoxyphenyl)oxazole IUPAC Name: 5-[1-[3-(4-isothiocyanatophenyl)propyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)-1,3-oxazole Traditional Name: 5-[1-[3-(4-isothiocyanatophenyl)propyl]pyridin-1-ium-4-yl]-2-(4-methoxyphenyl)oxazole Formula: C25H22N3O2S+ MolecularWeight: 428.52608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CCCC4=CC=C(C=C4)N=C=S

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=C(O2)C3=CC=[N+](C=C3)CCCC4=CC=C(C=C4)N=C=S

InChI

InChI=1S/C25H22N3O2S/c1-29-23-10-6-21(7-11-23)25-26-17-24(30-25)20-12-15-28(16-13-20)14-2-3-19-4-8-22(9-5-19)27-18-31/h4-13,15-17H,2-3,14H2,1H3/q+1