3-phenyl-N-[(2R)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-phenyl-N-[(2R)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]-1H-pyrazole-5-carboxamide Openeye Name: 3-phenyl-N-[(2R)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]-1H-pyrazole-5-carboxamide CAS Name: 3-phenyl-N-[(2R)-2-[3-(4-thiomorpholin-4-iumylmethyl)phenoxy]propyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-phenyl-N-[(2R)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]-1H-pyrazole-5-carboxamide Traditional Name: 3-phenyl-N-[(2R)-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propyl]-1H-pyrazole-5-carboxamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC(=NN1)C2=CC=CC=C2)OC3=CC=CC(=C3)C[NH+]4CCSCC4

Isomeric SMILES

C[C@H](CNC(=O)C1=CC(=NN1)C2=CC=CC=C2)OC3=CC=CC(=C3)C[NH+]4CCSCC4

InChI

InChI=1S/C24H28N4O2S/c1-18(30-21-9-5-6-19(14-21)17-28-10-12-31-13-11-28)16-25-24(29)23-15-22(26-27-23)20-7-3-2-4-8-20/h2-9,14-15,18H,10-13,16-17H2,1H3,(H,25,29)(H,26,27)/p+1/t18-/m1/s1