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

Systemtic Name: 2-(4,4-diethyl-2-oxidanylidene-1,4-diazepan-4-ium-1-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(4,4-diethyl-2-oxo-1,4-diazepan-4-ium-1-yl)acetamide CAS Name: 2-(4,4-diethyl-2-oxo-1,4-diazepan-4-ium-1-yl)-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(4,4-diethyl-2-oxo-1,4-diazepan-4-ium-1-yl)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(4,4-diethyl-2-keto-1,4-diazepan-4-ium-1-yl)acetamide Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2S/c1-3-23(4-2)13-8-12-22(20(25)16-23)15-19(24)21-11-14-26-17-18-9-6-5-7-10-18/h5-7,9-10H,3-4,8,11-17H2,1-2H3/p+1