cyclooctyl-[(5R)-1-ethyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: cyclooctyl-[(5R)-1-ethyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cyclooctyl-[(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cyclooctyl-[(5R)-1-ethyl-3-[oxo(thiomorpholin-4-yl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclooctyl-[(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cyclooctyl-[(5R)-1-ethyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H37N4OS+ MolecularWeight: 405.62038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH2+]C3CCCCCCC3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH2+]C3CCCCCCC3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C22H36N4OS/c1-2-26-20-11-10-18(23-17-8-6-4-3-5-7-9-17)16-19(20)21(24-26)22(27)25-12-14-28-15-13-25/h17-18,23H,2-16H2,1H3/p+1/t18-/m1/s1