(4-fluorophenyl)methyl-[(5R)-1-methyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: (4-fluorophenyl)methyl-[(5R)-1-methyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: (4-fluorophenyl)methyl-[(5R)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: (4-fluorophenyl)methyl-[(5R)-1-methyl-3-[oxo(1-piperidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (4-fluorophenyl)methyl-[(5R)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: (4-fluorobenzyl)-[(5R)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H28FN4O+ MolecularWeight: 371.471623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CC3=CC=C(C=C3)F)C(=N1)C(=O)N4CCCCC4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CC3=CC=C(C=C3)F)C(=N1)C(=O)N4CCCCC4

InChI

InChI=1S/C21H27FN4O/c1-25-19-10-9-17(23-14-15-5-7-16(22)8-6-15)13-18(19)20(24-25)21(27)26-11-3-2-4-12-26/h5-8,17,23H,2-4,9-14H2,1H3/p+1/t17-/m1/s1