cyclooctanone; 1-methylpiperazine-2,3-dithiol

Systemtic Name: cyclooctanone; 1-methylpiperazine-2,3-dithiol Openeye Name: cyclooctanone; 1-methylpiperazine-2,3-dithiol CAS Name: cyclooctanone; 1-methylpiperazine-2,3-dithiol IUPAC Name: cyclooctanone; 1-methylpiperazine-2,3-dithiol Traditional Name: cyclooctanone; 1-methylpiperazine-2,3-dithiol Formula: C13H26N2OS2 MolecularWeight: 290.48834

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNC(C1S)S.C1CCCC(=O)CCC1

Isomeric SMILES

CN1CCNC(C1S)S.C1CCCC(=O)CCC1

InChI

InChI=1S/C8H14O.C5H12N2S2/c9-8-6-4-2-1-3-5-7-8;1-7-3-2-6-4(8)5(7)9/h1-7H2;4-6,8-9H,2-3H2,1H3