N-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: [4-(difluoromethoxy)-3-methoxy-benzyl]-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C18H22F2N3O4S+ MolecularWeight: 414.446786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3)OC(F)F

InChI

InChI=1S/C18H21F2N3O4S/c1-26-16-10-13(4-6-15(16)27-18(19)20)11-21-17-7-5-14(12-22-17)28(24,25)23-8-2-3-9-23/h4-7,10,12,18H,2-3,8-9,11H2,1H3,(H,21,22)/p+1