[1-chloranyl-3-(phenylmethylsulfanyl)propan-2-yl]-(2-methylpropyl)azanium chloride

Systemtic Name: [1-chloranyl-3-(phenylmethylsulfanyl)propan-2-yl]-(2-methylpropyl)azanium chloride Openeye Name: [1-(benzylsulfanylmethyl)-2-chloro-ethyl]-isobutyl-ammonium chloride CAS Name: [1-chloro-3-(phenylmethylthio)propan-2-yl]-(2-methylpropyl)ammonium chloride IUPAC Name: (1-benzylsulfanyl-3-chloropropan-2-yl)-(2-methylpropyl)azanium chloride Traditional Name: [1-[(benzylthio)methyl]-2-chloro-ethyl]-isobutyl-ammonium chloride Formula: C14H23Cl2NS MolecularWeight: 308.31012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]C(CSCC1=CC=CC=C1)CCl.[Cl-]

Isomeric SMILES

CC(C)C[NH2+]C(CSCC1=CC=CC=C1)CCl.[Cl-]

InChI

InChI=1S/C14H22ClNS.ClH/c1-12(2)9-16-14(8-15)11-17-10-13-6-4-3-5-7-13;/h3-7,12,14,16H,8-11H2,1-2H3;1H