6-(4-methylsulfanylphenyl)-2-(4-oxidanylpiperidin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-(4-methylsulfanylphenyl)-2-(4-oxidanylpiperidin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide Openeye Name: 2-(4-hydroxy-1-piperidyl)-6-(4-methylsulfanylphenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-1-ium-3-carboxamide CAS Name: 2-(4-hydroxy-1-piperidinyl)-6-[4-(methylthio)phenyl]-N-[[(2R)-2-oxolanyl]methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 2-(4-hydroxypiperidin-1-yl)-6-(4-methylsulfanylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide Traditional Name: 2-(4-hydroxypiperidino)-6-[4-(methylthio)phenyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridin-1-ium-3-carboxamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=[NH+]C(=C(C=C2)C(=O)NCC3CCCO3)N4CCC(CC4)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=[NH+]C(=C(C=C2)C(=O)NC[C@H]3CCCO3)N4CCC(CC4)O

InChI

InChI=1S/C23H29N3O3S/c1-30-19-6-4-16(5-7-19)21-9-8-20(23(28)24-15-18-3-2-14-29-18)22(25-21)26-12-10-17(27)11-13-26/h4-9,17-18,27H,2-3,10-15H2,1H3,(H,24,28)/p+1/t18-/m1/s1