2-(3-fluorophenyl)ethyl-[(5R)-1-methyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 2-(3-fluorophenyl)ethyl-[(5R)-1-methyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-(3-fluorophenyl)ethyl-[(5R)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-(3-fluorophenyl)ethyl-[(5R)-1-methyl-3-[oxo(1-piperidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-(3-fluorophenyl)ethyl-[(5R)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2-(3-fluorophenyl)ethyl-[(5R)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H30FN4O+ MolecularWeight: 385.498203

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CCC3=CC(=CC=C3)F)C(=N1)C(=O)N4CCCCC4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CCC3=CC(=CC=C3)F)C(=N1)C(=O)N4CCCCC4

InChI

InChI=1S/C22H29FN4O/c1-26-20-9-8-18(24-11-10-16-6-5-7-17(23)14-16)15-19(20)21(25-26)22(28)27-12-3-2-4-13-27/h5-7,14,18,24H,2-4,8-13,15H2,1H3/p+1/t18-/m1/s1