2-[2-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-(4-carbamoyl-4-piperidin-1-ium-1-yl-1-piperidyl)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[4-carbamoyl-4-(1-piperidin-1-iumyl)-1-piperidinyl]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-(4-carbamoyl-4-piperidin-1-ium-1-ylpiperidin-1-yl)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidino)-2-keto-ethyl]thio]acetate Formula: C15H25N3O4S MolecularWeight: 343.4417

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CSCC(=O)[O-])C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CSCC(=O)[O-])C(=O)N

InChI

InChI=1S/C15H25N3O4S/c16-14(22)15(18-6-2-1-3-7-18)4-8-17(9-5-15)12(19)10-23-11-13(20)21/h1-11H2,(H2,16,22)(H,20,21)