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

Systemtic Name: [(5R)-1-ethyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(5R)-1-ethyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C22H32N5OS+ MolecularWeight: 414.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+](C)CCC3=CC=CC=N3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+](C)CCC3=CC=CC=N3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C22H31N5OS/c1-3-27-20-8-7-18(25(2)11-9-17-6-4-5-10-23-17)16-19(20)21(24-27)22(28)26-12-14-29-15-13-26/h4-6,10,18H,3,7-9,11-16H2,1-2H3/p+1/t18-/m1/s1