1-(1,4-diazepan-4-ium-1-yl)-2-methylsulfanyl-ethanone

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-2-methylsulfanyl-ethanone Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-2-methylsulfanyl-ethanone CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(methylthio)ethanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-2-methylsulfanylethanone Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(methylthio)ethanone Formula: C8H17N2OS+ MolecularWeight: 189.29838

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCC[NH2+]CC1

Isomeric SMILES

CSCC(=O)N1CCC[NH2+]CC1

InChI

InChI=1S/C8H16N2OS/c1-12-7-8(11)10-5-2-3-9-4-6-10/h9H,2-7H2,1H3/p+1