[1-ethylsulfonyl-1-(3-iodanyl-4-methyl-phenyl)-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-(3-iodanyl-4-methyl-phenyl)-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-(3-iodo-4-methyl-phenyl)-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-(3-iodo-4-methylphenyl)-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-(3-iodo-4-methylphenyl)-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-(3-iodo-4-methyl-phenyl)-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)C2=CC(=C(C=C2)C)I

Isomeric SMILES

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

InChI

InChI=1S/C15H20IN2O2S/c1-3-21(19,20)18(8-4-5-13(10-17)11-18)14-7-6-12(2)15(16)9-14/h4-7,9,11H,3,8,10,17H2,1-2H3/q+1