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

Systemtic Name: furan-2-ylmethyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-furylmethyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-furanylmethyl-[(5R)-1-methyl-3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: furan-2-ylmethyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2-furfuryl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CC3=CC=CO3)C(=N1)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CC3=CC=CO3)C(=N1)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2/c1-26-20-10-9-17(24-15-18-8-5-13-28-18)14-19(20)21(25-26)22(27)23-12-11-16-6-3-2-4-7-16/h2-8,13,17,24H,9-12,14-15H2,1H3,(H,23,27)/p+1/t17-/m1/s1