[azanyl-[4-(phenylcarbonyloxy)butylsulfanyl]methylidene]azanium chloride

Systemtic Name: [azanyl-[4-(phenylcarbonyloxy)butylsulfanyl]methylidene]azanium chloride Openeye Name: [amino(4-benzoyloxybutylsulfanyl)methylene]ammonium chloride CAS Name: [amino-(4-benzoyloxybutylthio)methylidene]ammonium chloride IUPAC Name: [amino(4-benzoyloxybutylsulfanyl)methylidene]azanium chloride Traditional Name: [amino-(4-benzoyloxybutylthio)methylene]ammonium chloride Formula: C12H17ClN2O2S MolecularWeight: 288.79358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCCSC(=[NH2+])N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCCSC(=[NH2+])N.[Cl-]

InChI

InChI=1S/C12H16N2O2S.ClH/c13-12(14)17-9-5-4-8-16-11(15)10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8-9H2,(H3,13,14);1H