(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C27H42N4O+2 MolecularWeight: 438.64858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+](CC3CC[NH+](CC3)C4CCCC4)CC5CCCO5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+](C[C@H]3CCCO3)CC4CC[NH+](CC4)C5CCCC5

InChI

InChI=1S/C27H40N4O/c1-29-19-24(27(28-29)23-8-3-2-4-9-23)20-30(21-26-12-7-17-32-26)18-22-13-15-31(16-14-22)25-10-5-6-11-25/h2-4,8-9,19,22,25-26H,5-7,10-18,20-21H2,1H3/p+2/t26-/m1/s1