N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-methylsulfanylphenyl)-2-(4-oxidanylpiperidin-1-yl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-methylsulfanylphenyl)-2-(4-oxidanylpiperidin-1-yl)pyridin-1-ium-3-carboxamide Openeye Name: 2-(4-hydroxy-1-piperidyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-1-ium-3-carboxamide CAS Name: 2-(4-hydroxy-1-piperidinyl)-N-(2-imidazo[1,2-a]pyridinylmethyl)-6-[4-(methylthio)phenyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-(4-hydroxypiperidin-1-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-1-ium-3-carboxamide Traditional Name: 2-(4-hydroxypiperidino)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-[4-(methylthio)phenyl]pyridin-1-ium-3-carboxamide Formula: C26H28N5O2S+ MolecularWeight: 474.59782

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=[NH+]C(=C(C=C2)C(=O)NCC3=CN4C=CC=CC4=N3)N5CCC(CC5)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=[NH+]C(=C(C=C2)C(=O)NCC3=CN4C=CC=CC4=N3)N5CCC(CC5)O

InChI

InChI=1S/C26H27N5O2S/c1-34-21-7-5-18(6-8-21)23-10-9-22(25(29-23)30-14-11-20(32)12-15-30)26(33)27-16-19-17-31-13-3-2-4-24(31)28-19/h2-10,13,17,20,32H,11-12,14-16H2,1H3,(H,27,33)/p+1