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

Systemtic Name: (5R)-1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5R)-1-ethyl-N-(3-furylmethyl)-N-methyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5R)-1-ethyl-N-(3-furanylmethyl)-N-methyl-5-(4-thiomorpholin-4-iumyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5R)-1-ethyl-N-(furan-3-ylmethyl)-N-methyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5R)-1-ethyl-N-(3-furfuryl)-N-methyl-5-thiomorpholin-4-ium-4-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+]3CCSCC3)C(=N1)C(=O)N(C)CC4=COC=C4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+]3CCSCC3)C(=N1)C(=O)N(C)CC4=COC=C4

InChI

InChI=1S/C20H28N4O2S/c1-3-24-18-5-4-16(23-7-10-27-11-8-23)12-17(18)19(21-24)20(25)22(2)13-15-6-9-26-14-15/h6,9,14,16H,3-5,7-8,10-13H2,1-2H3/p+1/t16-/m1/s1