4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-methylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C14H27N4OS+ MolecularWeight: 299.45538

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CC[NH+](CC1)CC(=O)N2CCCCCC2

Isomeric SMILES

CNC(=S)N1CC[NH+](CC1)CC(=O)N2CCCCCC2

InChI

InChI=1S/C14H26N4OS/c1-15-14(20)18-10-8-16(9-11-18)12-13(19)17-6-4-2-3-5-7-17/h2-12H2,1H3,(H,15,20)/p+1