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

Systemtic Name: 1-[2-(2,4-dimethylphenyl)-4,5-bis(propylsulfonyl)furan-3-yl]-3-methyl-pyridin-1-ium Openeye Name: 1-[2-(2,4-dimethylphenyl)-4,5-bis(propylsulfonyl)-3-furyl]-3-methyl-pyridin-1-ium CAS Name: 1-[2-(2,4-dimethylphenyl)-4,5-bis(propylsulfonyl)-3-furanyl]-3-methylpyridin-1-ium IUPAC Name: 1-[2-(2,4-dimethylphenyl)-4,5-bis(propylsulfonyl)furan-3-yl]-3-methylpyridin-1-ium Traditional Name: 1-[2-(2,4-dimethylphenyl)-4,5-bis(propylsulfonyl)-3-furyl]-3-methyl-pyridin-1-ium Formula: C24H30NO5S2+ MolecularWeight: 476.6287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30NO5S2/c1-6-13-31(26,27)23-21(25-12-8-9-18(4)16-25)22(20-11-10-17(3)15-19(20)5)30-24(23)32(28,29)14-7-2/h8-12,15-16H,6-7,13-14H2,1-5H3/q+1