[1-ethylsulfonyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine Traditional Name: [1-esyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methylamine Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC=CC=C3OC

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC=CC=C3OC

InChI

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