furan-2-ylmethyl-[(5R)-1-methyl-3-(2-piperidin-1-ium-1-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: furan-2-ylmethyl-[(5R)-1-methyl-3-(2-piperidin-1-ium-1-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-furylmethyl-[(5R)-1-methyl-3-(2-piperidin-1-ium-1-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-furanylmethyl-[(5R)-1-methyl-3-[oxo-[2-(1-piperidin-1-iumyl)ethylamino]methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: furan-2-ylmethyl-[(5R)-1-methyl-3-(2-piperidin-1-ium-1-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2-furfuryl-[(5R)-1-methyl-3-(2-piperidin-1-ium-1-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H33N5O2+2 MolecularWeight: 387.51902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CC3=CC=CO3)C(=N1)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CC3=CC=CO3)C(=N1)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C21H31N5O2/c1-25-19-8-7-16(23-15-17-6-5-13-28-17)14-18(19)20(24-25)21(27)22-9-12-26-10-3-2-4-11-26/h5-6,13,16,23H,2-4,7-12,14-15H2,1H3,(H,22,27)/p+2/t16-/m1/s1