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

Systemtic Name: N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine CAS Name: N-methyl-5-(1-pyrrolidinylsulfonyl)-N-[(2,3,4-trimethoxyphenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: methyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)-(2,3,4-trimethoxybenzyl)amine Formula: C20H28N3O5S+ MolecularWeight: 422.51842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-22(14-15-7-9-17(26-2)20(28-4)19(15)27-3)18-10-8-16(13-21-18)29(24,25)23-11-5-6-12-23/h7-10,13H,5-6,11-12,14H2,1-4H3/p+1