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

Systemtic Name: butyl-methyl-[(5S)-1-methyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: butyl-methyl-[(5S)-1-methyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: butyl-methyl-[(5S)-1-methyl-3-[oxo-(pyridin-4-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: butyl-methyl-[(5S)-1-methyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: butyl-methyl-[(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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O/c1-4-5-12-24(2)16-6-7-18-17(13-16)19(23-25(18)3)20(26)22-14-15-8-10-21-11-9-15/h8-11,16H,4-7,12-14H2,1-3H3,(H,22,26)/p+1/t16-/m0/s1