N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-propylsulfonyl-aniline chloride

Systemtic Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-propylsulfonyl-aniline chloride Openeye Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-propylsulfonyl-aniline chloride CAS Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-propylsulfonylaniline chloride IUPAC Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-propylsulfonylaniline chloride Traditional Name: 2-imidazolin-1-ium-2-ylmethyl-(2-propylsulfonylphenyl)amine chloride Formula: C13H20ClN3O2S MolecularWeight: 317.8348

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1NCC2=NCC[NH2+]2.[Cl-]

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1NCC2=NCC[NH2+]2.[Cl-]

InChI

InChI=1S/C13H19N3O2S.ClH/c1-2-9-19(17,18)12-6-4-3-5-11(12)16-10-13-14-7-8-15-13;/h3-6,16H,2,7-10H2,1H3,(H,14,15);1H