3-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxyphenyl]-2-ethylsulfanyl-4,5-dihydro-1,3-oxazol-3-ium

Systemtic Name: 3-[4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]oxyphenyl]-2-ethylsulfanyl-4,5-dihydro-1,3-oxazol-3-ium Openeye Name: 3-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]phenyl]-2-ethylsulfanyl-4,5-dihydrooxazol-3-ium CAS Name: 3-[4-[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]oxyphenyl]-2-(ethylthio)-4,5-dihydrooxazol-3-ium IUPAC Name: 3-[4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]oxyphenyl]-2-ethylsulfanyl-4,5-dihydro-1,3-oxazol-3-ium Traditional Name: 3-[4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propoxy]phenyl]-2-(ethylthio)-2-oxazolin-3-ium Formula: C24H27ClN3O2S+ MolecularWeight: 457.00808

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=[N+](CCO1)C2=CC=C(C=C2)OC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

Isomeric SMILES

CCSC1=[N+](CCO1)C2=CC=C(C=C2)OC(CCC3=CC=C(C=C3)Cl)CN4C=CN=C4

InChI

InChI=1S/C24H27ClN3O2S/c1-2-31-24-28(15-16-29-24)21-8-11-22(12-9-21)30-23(17-27-14-13-26-18-27)10-5-19-3-6-20(25)7-4-19/h3-4,6-9,11-14,18,23H,2,5,10,15-17H2,1H3/q+1