N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

Systemtic Name: N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide Openeye Name: N-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide CAS Name: N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide IUPAC Name: N-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide Traditional Name: N-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=C(N3)C=CS4)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=C(N3)C=CS4)O

InChI

InChI=1S/C18H20N4O2S/c23-13-4-2-7-22(11-13)17-12(3-1-6-19-17)10-20-18(24)15-9-16-14(21-15)5-8-25-16/h1,3,5-6,8-9,13,21,23H,2,4,7,10-11H2,(H,20,24)/p+1/t13-/m0/s1