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

Systemtic Name: cyclohexyl-[(5R)-1-ethyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cyclohexyl-[(5R)-1-ethyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cyclohexyl-[(5R)-1-ethyl-3-[oxo-(pyridin-4-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclohexyl-[(5R)-1-ethyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cyclohexyl-[(5R)-1-ethyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH2+]C3CCCCC3)C(=N1)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH2+]C3CCCCC3)C(=N1)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C22H31N5O/c1-2-27-20-9-8-18(25-17-6-4-3-5-7-17)14-19(20)21(26-27)22(28)24-15-16-10-12-23-13-11-16/h10-13,17-18,25H,2-9,14-15H2,1H3,(H,24,28)/p+1/t18-/m1/s1