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

Systemtic Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-ethylsulfanyl-aniline chloride Openeye Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-ethylsulfanyl-aniline chloride CAS Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-(ethylthio)aniline chloride IUPAC Name: N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-ethylsulfanylaniline chloride Traditional Name: [2-(ethylthio)phenyl]-(2-imidazolin-1-ium-2-ylmethyl)amine chloride Formula: C12H18ClN3S MolecularWeight: 271.80942

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NCC2=NCC[NH2+]2.[Cl-]

Isomeric SMILES

CCSC1=CC=CC=C1NCC2=NCC[NH2+]2.[Cl-]

InChI

InChI=1S/C12H17N3S.ClH/c1-2-16-11-6-4-3-5-10(11)15-9-12-13-7-8-14-12;/h3-6,15H,2,7-9H2,1H3,(H,13,14);1H