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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+](CC2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+](C[C@H]2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C25H39N5/c1-3-30-20-24(21(2)27-30)19-28(16-22-9-7-13-26-15-22)17-23-10-8-14-29(18-23)25-11-5-4-6-12-25/h7,9,13,15,20,23,25H,3-6,8,10-12,14,16-19H2,1-2H3/p+2/t23-/m1/s1