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

Systemtic Name: [1-ethylsulfonyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-4-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-4-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-4-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-4-yl]methanamine Traditional Name: [1-esyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-4-yl]methylamine Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N2O4S/c1-3-28(24,25)23(14-12-17(16-22)13-15-23)18-8-10-19(11-9-18)27-21-7-5-4-6-20(21)26-2/h4-14H,3,15-16,22H2,1-2H3/q+1