ethyl 4-[[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-(2-piperidin-1-ium-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-(2-piperidin-1-ium-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-(2-piperidin-1-ium-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[[(3R)-1-cyclopentyl-3-piperidin-1-iumyl]methyl-[2-(1-piperidin-1-iumyl)ethyl]amino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-(2-piperidin-1-ium-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[[(3R)-1-cyclopentylpiperidin-1-ium-3-yl]methyl-(2-piperidin-1-ium-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C25H45N5O2+2 MolecularWeight: 447.6571

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN(CC[NH+]2CCCCC2)CC3CCC[NH+](C3)C4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN(CC[NH+]2CCCCC2)C[C@H]3CCC[NH+](C3)C4CCCC4

InChI

InChI=1S/C25H43N5O2/c1-2-32-25(31)24-22(17-26-27-24)20-29(16-15-28-12-6-3-7-13-28)18-21-9-8-14-30(19-21)23-10-4-5-11-23/h17,21,23H,2-16,18-20H2,1H3,(H,26,27)/p+2/t21-/m1/s1