butyl-methyl-[(5S)-1-(2-methylpropyl)-3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: butyl-methyl-[(5S)-1-(2-methylpropyl)-3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: butyl-[(5S)-1-isobutyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-ammonium CAS Name: butyl-methyl-[(5S)-1-(2-methylpropyl)-3-[4-morpholinyl(oxo)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: butyl-methyl-[(5S)-1-(2-methylpropyl)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: butyl-[(5S)-1-isobutyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-ammonium Formula: C21H37N4O2+ MolecularWeight: 377.54408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C1CCC2=C(C1)C(=NN2CC(C)C)C(=O)N3CCOCC3

Isomeric SMILES

CCCC[NH+](C)[C@H]1CCC2=C(C1)C(=NN2CC(C)C)C(=O)N3CCOCC3

InChI

InChI=1S/C21H36N4O2/c1-5-6-9-23(4)17-7-8-19-18(14-17)20(22-25(19)15-16(2)3)21(26)24-10-12-27-13-11-24/h16-17H,5-15H2,1-4H3/p+1/t17-/m0/s1