N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-[[(2R)-2-oxolanyl]methylthio]benzamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=CC=CC=C2C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

C1C[C@@H](OC1)CSC2=CC=CC=C2C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H27N3O3S/c26-22(19-5-1-2-6-20(19)29-16-18-4-3-11-28-18)24-15-17-7-8-21(23-14-17)25-9-12-27-13-10-25/h1-2,5-8,14,18H,3-4,9-13,15-16H2,(H,24,26)/p+1/t18-/m1/s1