2-[3-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]ethylazanium

Systemtic Name: 2-[3-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]ethylazanium Openeye Name: 2-[3-[2-(2-methoxyanilino)-2-oxo-ethyl]sulfanylpropanoylamino]ethylammonium CAS Name: 2-[[3-[[2-(2-methoxyanilino)-2-oxoethyl]thio]-1-oxopropyl]amino]ethylammonium IUPAC Name: 2-[3-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylpropanoylamino]ethylazanium Traditional Name: 2-[3-[[2-keto-2-(o-anisidino)ethyl]thio]propanoylamino]ethylammonium Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSCCC(=O)NCC[NH3+]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CSCCC(=O)NCC[NH3+]

InChI

InChI=1S/C14H21N3O3S/c1-20-12-5-3-2-4-11(12)17-14(19)10-21-9-6-13(18)16-8-7-15/h2-5H,6-10,15H2,1H3,(H,16,18)(H,17,19)/p+1