N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-(azepan-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-(azepan-1-ium-1-yl)ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-(azepan-1-ium-1-yl)acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-(1-azepan-1-iumyl)acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(azepan-1-ium-1-yl)acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-(azepan-1-ium-1-yl)acetamide Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C16H23N3O2S/c17-15(20)12-22-14-8-4-3-7-13(14)18-16(21)11-19-9-5-1-2-6-10-19/h3-4,7-8H,1-2,5-6,9-12H2,(H2,17,20)(H,18,21)/p+1