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

Systemtic Name: 3-ethoxypropyl-[(5S)-1-(2-methylpropyl)-3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 3-ethoxypropyl-[(5S)-1-isobutyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 3-ethoxypropyl-[(5S)-1-(2-methylpropyl)-3-[4-morpholinyl(oxo)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 3-ethoxypropyl-[(5S)-1-(2-methylpropyl)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 3-ethoxypropyl-[(5S)-1-isobutyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H37N4O3+ MolecularWeight: 393.54348

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC[NH2+]C1CCC2=C(C1)C(=NN2CC(C)C)C(=O)N3CCOCC3

Isomeric SMILES

CCOCCC[NH2+][C@H]1CCC2=C(C1)C(=NN2CC(C)C)C(=O)N3CCOCC3

InChI

InChI=1S/C21H36N4O3/c1-4-27-11-5-8-22-17-6-7-19-18(14-17)20(23-25(19)15-16(2)3)21(26)24-9-12-28-13-10-24/h16-17,22H,4-15H2,1-3H3/p+1/t17-/m0/s1