5-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: 5-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Openeye Name: 5-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine CAS Name: 5-(1-pyrrolidinylsulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: 5-pyrrolidin-1-ylsulfonyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: (5-pyrrolidinosulfonylpyridin-1-ium-2-yl)-(3,4,5-trimethoxybenzyl)amine Formula: C19H26N3O5S+ MolecularWeight: 408.49184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H25N3O5S/c1-25-16-10-14(11-17(26-2)19(16)27-3)12-20-18-7-6-15(13-21-18)28(23,24)22-8-4-5-9-22/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,20,21)/p+1