[1-ethylsulfonyl-1-[[3-(2-methoxyphenoxy)phenyl]methyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[[3-(2-methoxyphenoxy)phenyl]methyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[[3-(2-methoxyphenoxy)phenyl]methyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[[3-(2-methoxyphenoxy)phenyl]methyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[[3-(2-methoxyphenoxy)phenyl]methyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[3-(2-methoxyphenoxy)benzyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C22H27N2O4S+ MolecularWeight: 415.52578

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)CC2=CC(=CC=C2)OC3=CC=CC=C3OC

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)CC2=CC(=CC=C2)OC3=CC=CC=C3OC

InChI

InChI=1S/C22H27N2O4S/c1-3-29(25,26)24(13-7-9-19(15-23)17-24)16-18-8-6-10-20(14-18)28-22-12-5-4-11-21(22)27-2/h4-12,14,17H,3,13,15-16,23H2,1-2H3/q+1