(2,4-dimethoxyphenyl)methyl-methyl-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]azanium

Systemtic Name: (2,4-dimethoxyphenyl)methyl-methyl-[(2-oxidanylidene-5-pyrrolidin-1-ylsulfonyl-pyridin-1-yl)methyl]azanium Openeye Name: (2,4-dimethoxyphenyl)methyl-methyl-[(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridyl)methyl]ammonium CAS Name: (2,4-dimethoxyphenyl)methyl-methyl-[[2-oxo-5-(1-pyrrolidinylsulfonyl)-1-pyridinyl]methyl]ammonium IUPAC Name: (2,4-dimethoxyphenyl)methyl-methyl-[(2-oxo-5-pyrrolidin-1-ylsulfonylpyridin-1-yl)methyl]azanium Traditional Name: (2,4-dimethoxybenzyl)-[(2-keto-5-pyrrolidinosulfonyl-1-pyridyl)methyl]-methyl-ammonium Formula: C20H28N3O5S+ MolecularWeight: 422.51842

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=C(C=C1)OC)OC)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+](CC1=C(C=C(C=C1)OC)OC)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H27N3O5S/c1-21(13-16-6-7-17(27-2)12-19(16)28-3)15-22-14-18(8-9-20(22)24)29(25,26)23-10-4-5-11-23/h6-9,12,14H,4-5,10-11,13,15H2,1-3H3/p+1