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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: homoveratryl-methyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C20H28N3O4S+ MolecularWeight: 406.51902

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H27N3O4S/c1-22(13-10-16-6-8-18(26-2)19(14-16)27-3)20-9-7-17(15-21-20)28(24,25)23-11-4-5-12-23/h6-9,14-15H,4-5,10-13H2,1-3H3/p+1