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

Systemtic Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(1-phenylpyrazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(1-phenylpyrazol-4-yl)methyl]-(3-pyridylmethyl)ammonium CAS Name: [(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl-[(1-phenyl-4-pyrazolyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(1-phenylpyrazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl-[(1-phenylpyrazol-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=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H37N5/c1-3-11-27(12-4-1)32-16-8-10-25(22-32)20-31(19-24-9-7-15-29-17-24)21-26-18-30-33(23-26)28-13-5-2-6-14-28/h2,5-7,9,13-15,17-18,23,25,27H,1,3-4,8,10-12,16,19-22H2/p+2/t25-/m1/s1