[1-[4-(2-ethoxyphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-[4-(2-ethoxyphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(2-ethoxyphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(2-ethoxyphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(2-ethoxyphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[4-(2-ethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C22H27N2O4S+ MolecularWeight: 415.52578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)CC

Isomeric SMILES

CCOC1=CC=CC=C1OC2=CC=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)CC

InChI

InChI=1S/C22H27N2O4S/c1-3-27-21-9-5-6-10-22(21)28-20-13-11-19(12-14-20)24(29(25,26)4-2)15-7-8-18(16-23)17-24/h5-14,17H,3-4,15-16,23H2,1-2H3/q+1