2-(4,4-dimethyl-2-oxidanylidene-1,4-diazepan-4-ium-1-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-(4,4-dimethyl-2-oxidanylidene-1,4-diazepan-4-ium-1-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(4,4-dimethyl-2-oxo-1,4-diazepan-4-ium-1-yl)acetamide CAS Name: 2-(4,4-dimethyl-2-oxo-1,4-diazepan-4-ium-1-yl)-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(4,4-dimethyl-2-oxo-1,4-diazepan-4-ium-1-yl)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(2-keto-4,4-dimethyl-1,4-diazepan-4-ium-1-yl)acetamide Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCN(C(=O)C1)CC(=O)NCCSCC2=CC=CC=C2)C

Isomeric SMILES

C[N+]1(CCCN(C(=O)C1)CC(=O)NCCSCC2=CC=CC=C2)C

InChI

InChI=1S/C18H27N3O2S/c1-21(2)11-6-10-20(18(23)14-21)13-17(22)19-9-12-24-15-16-7-4-3-5-8-16/h3-5,7-8H,6,9-15H2,1-2H3/p+1