[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl-cyclopropyl-(2-phenoxysulfonylethyl)azanium

Systemtic Name: [4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl-cyclopropyl-(2-phenoxysulfonylethyl)azanium Openeye Name: cyclopropyl-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-(2-phenoxysulfonylethyl)ammonium CAS Name: cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-(2-phenoxysulfonylethyl)ammonium IUPAC Name: cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-(2-phenoxysulfonylethyl)azanium Traditional Name: cyclopropyl-[4-(difluoromethoxy)-3-methoxy-benzyl]-(2-phenoxysulfonylethyl)ammonium Formula: C20H24F2NO5S+ MolecularWeight: 428.470066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+](CCS(=O)(=O)OC2=CC=CC=C2)C3CC3)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+](CCS(=O)(=O)OC2=CC=CC=C2)C3CC3)OC(F)F

InChI

InChI=1S/C20H23F2NO5S/c1-26-19-13-15(7-10-18(19)27-20(21)22)14-23(16-8-9-16)11-12-29(24,25)28-17-5-3-2-4-6-17/h2-7,10,13,16,20H,8-9,11-12,14H2,1H3/p+1