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

Systemtic Name: cyclopentyl-[(5R)-1-ethyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cyclopentyl-[(5R)-1-ethyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cyclopentyl-[(5R)-1-ethyl-3-[oxo-(pyridin-4-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclopentyl-[(5R)-1-ethyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cyclopentyl-[(5R)-1-ethyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH2+]C3CCCC3)C(=N1)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH2+]C3CCCC3)C(=N1)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C21H29N5O/c1-2-26-19-8-7-17(24-16-5-3-4-6-16)13-18(19)20(25-26)21(27)23-14-15-9-11-22-12-10-15/h9-12,16-17,24H,2-8,13-14H2,1H3,(H,23,27)/p+1/t17-/m1/s1