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

Systemtic Name: cyclooctyl-[(5R)-1-ethyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cyclooctyl-[(5R)-1-ethyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cyclooctyl-[(5R)-1-ethyl-3-[oxo-(pyridin-4-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclooctyl-[(5R)-1-ethyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cyclooctyl-[(5R)-1-ethyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C24H36N5O+ MolecularWeight: 410.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH2+]C3CCCCCCC3)C(=N1)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH2+]C3CCCCCCC3)C(=N1)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C24H35N5O/c1-2-29-22-11-10-20(27-19-8-6-4-3-5-7-9-19)16-21(22)23(28-29)24(30)26-17-18-12-14-25-15-13-18/h12-15,19-20,27H,2-11,16-17H2,1H3,(H,26,30)/p+1/t20-/m1/s1