(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(5-ethoxycarbonyl-1H-pyrazol-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: (5-carbethoxy-1H-pyrazol-4-yl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C23H40N4O3+2 MolecularWeight: 420.5887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4CCCO4

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+](C[C@H]2CCCO2)CC3CC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C23H38N4O3/c1-2-29-23(28)22-19(14-24-25-22)16-26(17-21-8-5-13-30-21)15-18-9-11-27(12-10-18)20-6-3-4-7-20/h14,18,20-21H,2-13,15-17H2,1H3,(H,24,25)/p+2/t21-/m1/s1