N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(methylthio)nicotinamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=C(N=CC=C2)SC)[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=C(N=CC=C2)SC)[NH+]3CCOCC3

InChI

InChI=1S/C20H25N3O3S/c1-25-16-7-5-15(6-8-16)18(23-10-12-26-13-11-23)14-22-19(24)17-4-3-9-21-20(17)27-2/h3-9,18H,10-14H2,1-2H3,(H,22,24)/p+1/t18-/m0/s1