methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(pentylamino)ethyl]azanium

Systemtic Name: methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-(pentylamino)ethyl]azanium Openeye Name: methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-[2-oxo-2-(pentylamino)ethyl]ammonium CAS Name: methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]-[2-oxo-2-(pentylamino)ethyl]ammonium IUPAC Name: methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[2-oxo-2-(pentylamino)ethyl]azanium Traditional Name: [2-(amylamino)-2-keto-ethyl]-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C[NH+](C)CC(=O)NC1=CC=CC=C1SC

Isomeric SMILES

CCCCCNC(=O)C[NH+](C)CC(=O)NC1=CC=CC=C1SC

InChI

InChI=1S/C17H27N3O2S/c1-4-5-8-11-18-16(21)12-20(2)13-17(22)19-14-9-6-7-10-15(14)23-3/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,18,21)(H,19,22)/p+1