S-(5-aminocarbonylsulfanylpentyl) carbamothioate; piperidin-1-ium

Systemtic Name: S-(5-aminocarbonylsulfanylpentyl) carbamothioate; piperidin-1-ium Openeye Name: S-(5-carbamoylsulfanylpentyl) carbamothioate; piperidin-1-ium CAS Name: carbamothioic acid S-[5-(carbamoylthio)pentyl] ester; piperidin-1-ium IUPAC Name: S-(5-carbamoylsulfanylpentyl) carbamothioate; piperidin-1-ium Traditional Name: piperidin-1-ium; thiocarbamic acid S-[5-(carbamoylthio)pentyl] ester Formula: C12H26N3O2S2+ MolecularWeight: 308.48374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]CC1.C(CCSC(=O)N)CCSC(=O)N

Isomeric SMILES

C1CC[NH2+]CC1.C(CCSC(=O)N)CCSC(=O)N

InChI

InChI=1S/C7H14N2O2S2.C5H11N/c8-6(10)12-4-2-1-3-5-13-7(9)11;1-2-4-6-5-3-1/h1-5H2,(H2,8,10)(H2,9,11);6H,1-5H2/p+1