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

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-(azocan-1-ium-1-yl)ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-(azocan-1-ium-1-yl)acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-(1-azocan-1-iumyl)acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(azocan-1-ium-1-yl)acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-(azocan-1-ium-1-yl)acetamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)NC2=CC=CC=C2SCC(=O)N

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)NC2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C17H25N3O2S/c18-16(21)13-23-15-9-5-4-8-14(15)19-17(22)12-20-10-6-2-1-3-7-11-20/h4-5,8-9H,1-3,6-7,10-13H2,(H2,18,21)(H,19,22)/p+1