[azanyl(1-phenylpropylsulfanyl)methylidene]azanium ethanoate

Systemtic Name: [azanyl(1-phenylpropylsulfanyl)methylidene]azanium ethanoate Openeye Name: [amino(1-phenylpropylsulfanyl)methylene]ammonium acetate CAS Name: [amino-(1-phenylpropylthio)methylidene]ammonium acetate IUPAC Name: [amino(1-phenylpropylsulfanyl)methylidene]azanium acetate Traditional Name: [amino-(1-phenylpropylthio)methylene]ammonium acetate Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)SC(=[NH2+])N.CC(=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)SC(=[NH2+])N.CC(=O)[O-]

InChI

InChI=1S/C10H14N2S.C2H4O2/c1-2-9(13-10(11)12)8-6-4-3-5-7-8;1-2(3)4/h3-7,9H,2H2,1H3,(H3,11,12);1H3,(H,3,4)