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

Systemtic Name: 3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropylazanium Openeye Name: 3-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropylammonium CAS Name: 3-[[2-(4-methylanilino)-2-oxoethyl]thio]propylammonium IUPAC Name: 3-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropylazanium Traditional Name: 3-[[2-keto-2-(p-toluidino)ethyl]thio]propylammonium Formula: C12H19N2OS+ MolecularWeight: 239.35706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCCC[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCCC[NH3+]

InChI

InChI=1S/C12H18N2OS/c1-10-3-5-11(6-4-10)14-12(15)9-16-8-2-7-13/h3-6H,2,7-9,13H2,1H3,(H,14,15)/p+1