cyclooctyl-[(5R)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: cyclooctyl-[(5R)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5R)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-cyclooctyl-ammonium CAS Name: cyclooctyl-[(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclooctyl-[(5R)-1-prop-2-enyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5R)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-cyclooctyl-ammonium Formula: C23H37N4OS+ MolecularWeight: 417.63108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4OS/c1-2-12-27-21-11-10-19(24-18-8-6-4-3-5-7-9-18)17-20(21)22(25-27)23(28)26-13-15-29-16-14-26/h2,18-19,24H,1,3-17H2/p+1/t19-/m1/s1