furan-2-ylmethyl-[(5R)-1-(2-methylpropyl)-3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: furan-2-ylmethyl-[(5R)-1-(2-methylpropyl)-3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-furylmethyl-[(5R)-1-isobutyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-furanylmethyl-[(5R)-1-(2-methylpropyl)-3-[4-morpholinyl(oxo)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: furan-2-ylmethyl-[(5R)-1-(2-methylpropyl)-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2-furfuryl-[(5R)-1-isobutyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(CC(CC2)[NH2+]CC3=CC=CO3)C(=N1)C(=O)N4CCOCC4

Isomeric SMILES

CC(C)CN1C2=C(C[C@@H](CC2)[NH2+]CC3=CC=CO3)C(=N1)C(=O)N4CCOCC4

InChI

InChI=1S/C21H30N4O3/c1-15(2)14-25-19-6-5-16(22-13-17-4-3-9-28-17)12-18(19)20(23-25)21(26)24-7-10-27-11-8-24/h3-4,9,15-16,22H,5-8,10-14H2,1-2H3/p+1/t16-/m1/s1