oxidanylidene-[[propanoyl(propyl)amino]methyl]-(2-sulfanylphenyl)azanium

Systemtic Name: oxidanylidene-[[propanoyl(propyl)amino]methyl]-(2-sulfanylphenyl)azanium Openeye Name: oxo-[[propanoyl(propyl)amino]methyl]-(2-sulfanylphenyl)ammonium CAS Name: (2-mercaptophenyl)-oxo-[[1-oxopropyl(propyl)amino]methyl]ammonium IUPAC Name: oxo-[[propanoyl(propyl)amino]methyl]-(2-sulfanylphenyl)azanium Traditional Name: keto-(2-mercaptophenyl)-[[propionyl(propyl)amino]methyl]ammonium Formula: C13H19N2O2S+ MolecularWeight: 267.36716

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C[N+](=O)C1=CC=CC=C1S)C(=O)CC

Isomeric SMILES

CCCN(C[N+](=O)C1=CC=CC=C1S)C(=O)CC

InChI

InChI=1S/C13H18N2O2S/c1-3-9-14(13(16)4-2)10-15(17)11-7-5-6-8-12(11)18/h5-8H,3-4,9-10H2,1-2H3/p+1