2-adamantylmethyl-[(5R)-1-methyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 2-adamantylmethyl-[(5R)-1-methyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-adamantylmethyl-[(5R)-1-methyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-adamantylmethyl-[(5R)-1-methyl-3-[oxo-(pyridin-4-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-adamantylmethyl-[(5R)-1-methyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2-adamantylmethyl-[(5R)-1-methyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C26H36N5O+ MolecularWeight: 434.59694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CC3C4CC5CC(C4)CC3C5)C(=N1)C(=O)NCC6=CC=NC=C6

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CC3C4CC5CC(C4)CC3C5)C(=N1)C(=O)NCC6=CC=NC=C6

InChI

InChI=1S/C26H35N5O/c1-31-24-3-2-21(28-15-23-19-9-17-8-18(11-19)12-20(23)10-17)13-22(24)25(30-31)26(32)29-14-16-4-6-27-7-5-16/h4-7,17-21,23,28H,2-3,8-15H2,1H3,(H,29,32)/p+1/t17?,18?,19?,20?,21-,23?/m1/s1