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

Systemtic Name: 2-hydroxyethyl-[(5R)-1-methyl-3-piperidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-hydroxyethyl)-[(5R)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-hydroxyethyl-[(5R)-1-methyl-3-[oxo(1-piperidinyl)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-hydroxyethyl)-[(5R)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: benzyl-(2-hydroxyethyl)-[(5R)-1-methyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C23H33N4O2+ MolecularWeight: 397.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+](CCO)CC3=CC=CC=C3)C(=N1)C(=O)N4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O2/c1-25-21-11-10-19(27(14-15-28)17-18-8-4-2-5-9-18)16-20(21)22(24-25)23(29)26-12-6-3-7-13-26/h2,4-5,8-9,19,28H,3,6-7,10-17H2,1H3/p+1/t19-/m1/s1