[(5R)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-azanium

Systemtic Name: [(5R)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-azanium Openeye Name: [(5R)-1-methyl-3-(2-thienylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-ammonium CAS Name: [(5R)-1-methyl-3-[oxo-(thiophen-2-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-phenethylammonium IUPAC Name: [(5R)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethylazanium Traditional Name: [(5R)-1-methyl-3-(2-thenylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-ammonium Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CCC3=CC=CC=C3)C(=N1)C(=O)NCC4=CC=CS4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CCC3=CC=CC=C3)C(=N1)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C22H26N4OS/c1-26-20-10-9-17(23-12-11-16-6-3-2-4-7-16)14-19(20)21(25-26)22(27)24-15-18-8-5-13-28-18/h2-8,13,17,23H,9-12,14-15H2,1H3,(H,24,27)/p+1/t17-/m1/s1