1-(2-carbamimidoylsulfanylethanoyl)piperidine-4-carboxylate

Systemtic Name: 1-(2-carbamimidoylsulfanylethanoyl)piperidine-4-carboxylate Openeye Name: 1-(2-carbamimidoylsulfanylacetyl)piperidine-4-carboxylate CAS Name: 1-[2-(carbamimidoylthio)-1-oxoethyl]-4-piperidinecarboxylate IUPAC Name: 1-(2-carbamimidoylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 1-[2-(amidinothio)acetyl]isonipecotate Formula: C9H14N3O3S- MolecularWeight: 244.29076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C(=O)CSC(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C(=O)CSC(=N)N

InChI

InChI=1S/C9H15N3O3S/c10-9(11)16-5-7(13)12-3-1-6(2-4-12)8(14)15/h6H,1-5H2,(H3,10,11)(H,14,15)/p-1