[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C28H39N5+2 MolecularWeight: 445.64276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)C[NH+](CC3=CN=CC=C3)CC4=C(NN=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)C[NH+](CC3=CN=CC=C3)CC4=C(NN=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H37N5/c1-3-11-25(12-4-1)28-26(18-30-31-28)22-32(19-23-9-7-15-29-17-23)20-24-10-8-16-33(21-24)27-13-5-2-6-14-27/h1,3-4,7,9,11-12,15,17-18,24,27H,2,5-6,8,10,13-14,16,19-22H2,(H,30,31)/p+2/t24-/m1/s1