[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(1-isopropylpyrazol-4-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-[(1-propan-2-yl-4-pyrazolyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(1-isopropylpyrazol-4-yl)methyl]-(3-pyridylmethyl)ammonium Formula: C25H41N5+2 MolecularWeight: 411.62654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+](CC2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+](C[C@H]2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C25H39N5/c1-21(2)30-20-24(15-27-30)18-28(16-22-8-6-12-26-14-22)17-23-9-7-13-29(19-23)25-10-4-3-5-11-25/h6,8,12,14-15,20-21,23,25H,3-5,7,9-11,13,16-19H2,1-2H3/p+2/t23-/m1/s1