[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC=CC=C1SC)CC(=O)N2CCCCCC2

Isomeric SMILES

C[NH+](CC(=O)NC1=CC=CC=C1SC)CC(=O)N2CCCCCC2

InChI

InChI=1S/C18H27N3O2S/c1-20(14-18(23)21-11-7-3-4-8-12-21)13-17(22)19-15-9-5-6-10-16(15)24-2/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3,(H,19,22)/p+1