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

Systemtic Name: 2-methylpropyl-[(5S)-1-methyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: isobutyl-[(5S)-1-methyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: [(5S)-1-methyl-3-[oxo-(pyridin-4-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-(2-methylpropyl)ammonium IUPAC Name: 2-methylpropyl-[(5S)-1-methyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: isobutyl-[(5S)-1-methyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C19H28N5O+ MolecularWeight: 342.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]C1CCC2=C(C1)C(=NN2C)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

CC(C)C[NH2+][C@H]1CCC2=C(C1)C(=NN2C)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C19H27N5O/c1-13(2)11-21-15-4-5-17-16(10-15)18(23-24(17)3)19(25)22-12-14-6-8-20-9-7-14/h6-9,13,15,21H,4-5,10-12H2,1-3H3,(H,22,25)/p+1/t15-/m0/s1