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

Systemtic Name: butyl-[(5S)-1-ethyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-azanium Openeye Name: butyl-[(5S)-1-ethyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-ammonium CAS Name: butyl-[(5S)-1-ethyl-3-[oxo-(pyridin-4-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-methylammonium IUPAC Name: butyl-[(5S)-1-ethyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-methylazanium Traditional Name: butyl-[(5S)-1-ethyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-ammonium Formula: C21H32N5O+ MolecularWeight: 370.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C1CCC2=C(C1)C(=NN2CC)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

CCCC[NH+](C)[C@H]1CCC2=C(C1)C(=NN2CC)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C21H31N5O/c1-4-6-13-25(3)17-7-8-19-18(14-17)20(24-26(19)5-2)21(27)23-15-16-9-11-22-12-10-16/h9-12,17H,4-8,13-15H2,1-3H3,(H,23,27)/p+1/t17-/m0/s1