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

Systemtic Name: [1-ethylsulfonyl-1-[(3-iodanylphenyl)methyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[(3-iodophenyl)methyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[(3-iodophenyl)methyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[(3-iodophenyl)methyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-(3-iodobenzyl)-2H-pyridin-1-ium-5-yl]methylamine Formula: C15H20IN2O2S+ MolecularWeight: 419.30097

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)CC2=CC(=CC=C2)I

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)CC2=CC(=CC=C2)I

InChI

InChI=1S/C15H20IN2O2S/c1-2-21(19,20)18(8-4-6-14(10-17)12-18)11-13-5-3-7-15(16)9-13/h3-7,9,12H,2,8,10-11,17H2,1H3/q+1