(5R)-1-ethyl-N-(pyridin-4-ylmethyl)-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: (5R)-1-ethyl-N-(pyridin-4-ylmethyl)-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5R)-1-ethyl-N-(4-pyridylmethyl)-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5R)-1-ethyl-N-(pyridin-4-ylmethyl)-5-(4-thiomorpholin-4-iumyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5R)-1-ethyl-N-(pyridin-4-ylmethyl)-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5R)-1-ethyl-N-(4-pyridylmethyl)-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C20H28N5OS+ MolecularWeight: 386.53422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+]3CCSCC3)C(=N1)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+]3CCSCC3)C(=N1)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C20H27N5OS/c1-2-25-18-4-3-16(24-9-11-27-12-10-24)13-17(18)19(23-25)20(26)22-14-15-5-7-21-8-6-15/h5-8,16H,2-4,9-14H2,1H3,(H,22,26)/p+1/t16-/m1/s1