N-(2,5-dimethylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[methyl-[5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumyl]amino]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[methyl-(5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[methyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amino]acetamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H26N4O3S/c1-15-6-7-16(2)18(12-15)22-20(25)14-23(3)19-9-8-17(13-21-19)28(26,27)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,22,25)/p+1