3-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropylazanium

Systemtic Name: 3-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropylazanium Openeye Name: 3-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanylpropylammonium CAS Name: 3-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]propylammonium IUPAC Name: 3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpropylazanium Traditional Name: 3-[[2-keto-2-(p-phenetidino)ethyl]thio]propylammonium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSCCC[NH3+]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSCCC[NH3+]

InChI

InChI=1S/C13H20N2O2S/c1-2-17-12-6-4-11(5-7-12)15-13(16)10-18-9-3-8-14/h4-7H,2-3,8-10,14H2,1H3,(H,15,16)/p+1