2-[5-(azepan-1-ium-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]-N-(3-methylsulfanylpropyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ium-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]-N-(3-methylsulfanylpropyl)ethanamide Openeye Name: 2-[5-(azepan-1-ium-1-ylmethyl)tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide CAS Name: 2-[5-(1-azepan-1-iumylmethyl)-1-tetrazolyl]-N-[3-(methylthio)propyl]acetamide IUPAC Name: 2-[5-(azepan-1-ium-1-ylmethyl)tetrazol-1-yl]-N-(3-methylsulfanylpropyl)acetamide Traditional Name: 2-[5-(azepan-1-ium-1-ylmethyl)tetrazol-1-yl]-N-[3-(methylthio)propyl]acetamide Formula: C14H27N6OS+ MolecularWeight: 327.46878

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=O)CN1C(=NN=N1)C[NH+]2CCCCCC2

Isomeric SMILES

CSCCCNC(=O)CN1C(=NN=N1)C[NH+]2CCCCCC2

InChI

InChI=1S/C14H26N6OS/c1-22-10-6-7-15-14(21)12-20-13(16-17-18-20)11-19-8-4-2-3-5-9-19/h2-12H2,1H3,(H,15,21)/p+1