[(5R)-1-ethyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [(5R)-1-ethyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-(2-thienylmethyl)ammonium CAS Name: [(5R)-1-ethyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-(2-thenyl)ammonium Formula: C20H29N4OS2+ MolecularWeight: 405.60046

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+](C)CC3=CC=CS3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+](C)CC3=CC=CS3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C20H28N4OS2/c1-3-24-18-7-6-15(22(2)14-16-5-4-10-27-16)13-17(18)19(21-24)20(25)23-8-11-26-12-9-23/h4-5,10,15H,3,6-9,11-14H2,1-2H3/p+1/t15-/m1/s1