(1-cyclohexylpyrazol-4-yl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (1-cyclohexylpyrazol-4-yl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Openeye Name: (1-cyclohexylpyrazol-4-yl)methyl-(4-pyridylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium CAS Name: (1-cyclohexyl-4-pyrazolyl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (1-cyclohexylpyrazol-4-yl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Traditional Name: (1-cyclohexylpyrazol-4-yl)methyl-(4-pyridylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium Formula: C25H41N5+2 MolecularWeight: 411.62654

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)[NH+](CC2=CC=NC=C2)CC3=CN(N=C3)C4CCCCC4)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)[NH+](CC2=CC=NC=C2)CC3=CN(N=C3)C4CCCCC4)C

InChI

InChI=1S/C25H39N5/c1-24(2)14-23(15-25(3,4)28-24)29(17-20-10-12-26-13-11-20)18-21-16-27-30(19-21)22-8-6-5-7-9-22/h10-13,16,19,22-23,28H,5-9,14-15,17-18H2,1-4H3/p+2