[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(1H-pyrazol-5-ylmethyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(1H-pyrazol-5-ylmethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(1H-pyrazol-5-ylmethyl)-(3-pyridylmethyl)ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-(1H-pyrazol-5-ylmethyl)-(3-pyridinylmethyl)ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(1H-pyrazol-5-ylmethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-(1H-pyrazol-5-ylmethyl)-(3-pyridylmethyl)ammonium Formula: C22H35N5+2 MolecularWeight: 369.5468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)C[NH+](CC3=CN=CC=C3)CC4=CC=NN4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)C[NH+](CC3=CN=CC=C3)CC4=CC=NN4

InChI

InChI=1S/C22H33N5/c1-2-8-22(9-3-1)27-13-5-7-20(17-27)16-26(18-21-10-12-24-25-21)15-19-6-4-11-23-14-19/h4,6,10-12,14,20,22H,1-3,5,7-9,13,15-18H2,(H,24,25)/p+2/t20-/m1/s1