furan-2-ylmethyl-methyl-[(5S)-1-methyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: furan-2-ylmethyl-methyl-[(5S)-1-methyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-furylmethyl-methyl-[(5S)-1-methyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-furanylmethyl-methyl-[(5S)-1-methyl-3-[oxo-(pyridin-4-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: furan-2-ylmethyl-methyl-[(5S)-1-methyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2-furfuryl-methyl-[(5S)-1-methyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+](C)CC3=CC=CO3)C(=N1)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH+](C)CC3=CC=CO3)C(=N1)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C21H25N5O2/c1-25(14-17-4-3-11-28-17)16-5-6-19-18(12-16)20(24-26(19)2)21(27)23-13-15-7-9-22-10-8-15/h3-4,7-11,16H,5-6,12-14H2,1-2H3,(H,23,27)/p+1/t16-/m0/s1