furan-2-ylmethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C2=C1CC(CC2)[NH2+]CC3=CC=CO3)CCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=NN(C2=C1C[C@H](CC2)[NH2+]CC3=CC=CO3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2/c1-23-22(27)21-19-14-17(24-15-18-8-5-13-28-18)9-10-20(19)26(25-21)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-/m0/s1