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

Systemtic Name: [1-ethylsulfonyl-1-(3-phenoxyphenyl)-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-(3-phenoxyphenyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-(3-phenoxyphenyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-(3-phenoxyphenyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-(3-phenoxyphenyl)-2H-pyridin-1-ium-5-yl]methylamine Formula: C20H23N2O3S+ MolecularWeight: 371.47322

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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=C3

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H23N2O3S/c1-2-26(23,24)22(13-7-8-17(15-21)16-22)18-9-6-12-20(14-18)25-19-10-4-3-5-11-19/h3-12,14,16H,2,13,15,21H2,1H3/q+1