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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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