[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C27H45N5+2 MolecularWeight: 439.6797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)C[NH+](CC2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)C[NH+](C[C@H]2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C27H43N5/c1-21(2)32-23(4)27(22(3)29-32)20-30(17-24-10-8-14-28-16-24)18-25-11-9-15-31(19-25)26-12-6-5-7-13-26/h8,10,14,16,21,25-26H,5-7,9,11-13,15,17-20H2,1-4H3/p+2/t25-/m1/s1