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

Systemtic Name: [1-ethylsulfonyl-1-(4-phenoxyphenyl)-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-(4-phenoxyphenyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-(4-phenoxyphenyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-(4-phenoxyphenyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-(4-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=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

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