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

Systemtic Name: [1-ethylsulfonyl-1-[3-(2-methylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[3-(2-methylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[3-(2-methylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[3-(2-methylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[3-(2-methylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=CC=C2)OC3=CC=CC=C3C

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=CC=C2)OC3=CC=CC=C3C

InChI

InChI=1S/C21H25N2O3S/c1-3-27(24,25)23(13-7-9-18(15-22)16-23)19-10-6-11-20(14-19)26-21-12-5-4-8-17(21)2/h4-12,14,16H,3,13,15,22H2,1-2H3/q+1