1-[2-(4-fluorophenyl)-4,5-bis(propylsulfonyl)furan-3-yl]-3,5-dimethyl-pyridin-1-ium

Systemtic Name: 1-[2-(4-fluorophenyl)-4,5-bis(propylsulfonyl)furan-3-yl]-3,5-dimethyl-pyridin-1-ium Openeye Name: 1-[2-(4-fluorophenyl)-4,5-bis(propylsulfonyl)-3-furyl]-3,5-dimethyl-pyridin-1-ium CAS Name: 1-[2-(4-fluorophenyl)-4,5-bis(propylsulfonyl)-3-furanyl]-3,5-dimethylpyridin-1-ium IUPAC Name: 1-[2-(4-fluorophenyl)-4,5-bis(propylsulfonyl)furan-3-yl]-3,5-dimethylpyridin-1-ium Traditional Name: 1-[2-(4-fluorophenyl)-4,5-bis(propylsulfonyl)-3-furyl]-3,5-dimethyl-pyridin-1-ium Formula: C23H27FNO5S2+ MolecularWeight: 480.592583

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=C(OC(=C1[N+]2=CC(=CC(=C2)C)C)C3=CC=C(C=C3)F)S(=O)(=O)CCC

Isomeric SMILES

CCCS(=O)(=O)C1=C(OC(=C1[N+]2=CC(=CC(=C2)C)C)C3=CC=C(C=C3)F)S(=O)(=O)CCC

InChI

InChI=1S/C23H27FNO5S2/c1-5-11-31(26,27)22-20(25-14-16(3)13-17(4)15-25)21(18-7-9-19(24)10-8-18)30-23(22)32(28,29)12-6-2/h7-10,13-15H,5-6,11-12H2,1-4H3/q+1