N-[(2R)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]pyridine-4-carboxamide

Systemtic Name: N-[(2R)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]pyridine-4-carboxamide Openeye Name: N-[(2R)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]pyridine-4-carboxamide CAS Name: N-[(2R)-2-[3-(4-thiomorpholin-4-iumylmethyl)phenoxy]propyl]-4-pyridinecarboxamide IUPAC Name: N-[(2R)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]pyridine-4-carboxamide Traditional Name: N-[(2R)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]isonicotinamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC=NC=C1)OC2=CC=CC(=C2)C[NH+]3CCSCC3

Isomeric SMILES

C[C@H](CNC(=O)C1=CC=NC=C1)OC2=CC=CC(=C2)C[NH+]3CCSCC3

InChI

InChI=1S/C20H25N3O2S/c1-16(14-22-20(24)18-5-7-21-8-6-18)25-19-4-2-3-17(13-19)15-23-9-11-26-12-10-23/h2-8,13,16H,9-12,14-15H2,1H3,(H,22,24)/p+1/t16-/m1/s1