2-[[(2S)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[(2S)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2S)-2-(4-hydroxypiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2S)-2-(4-hydroxy-1-piperidin-1-iumyl)-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2S)-2-(4-hydroxypiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2S)-2-(4-hydroxypiperidin-1-ium-1-yl)propanoyl]amino]thiophene-3-carboxamide Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCC(CC2)O

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCC(CC2)O

InChI

InChI=1S/C13H19N3O3S/c1-8(16-5-2-9(17)3-6-16)12(19)15-13-10(11(14)18)4-7-20-13/h4,7-9,17H,2-3,5-6H2,1H3,(H2,14,18)(H,15,19)/p+1/t8-/m0/s1