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

Systemtic Name: 3-methylbutyl-[(5S)-1-methyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: isopentyl-[(5S)-1-methyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 3-methylbutyl-[(5S)-1-methyl-3-[oxo-(pyridin-4-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 3-methylbutyl-[(5S)-1-methyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: isoamyl-[(5S)-1-methyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C20H30N5O+ MolecularWeight: 356.4851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O/c1-14(2)6-11-22-16-4-5-18-17(12-16)19(24-25(18)3)20(26)23-13-15-7-9-21-10-8-15/h7-10,14,16,22H,4-6,11-13H2,1-3H3,(H,23,26)/p+1/t16-/m0/s1