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

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[(2R)-oxolan-2-yl]methyl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(3-pyrazol-1-ylphenyl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[[(2R)-2-oxolanyl]methyl]-[[3-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[[(2R)-oxolan-2-yl]methyl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(3-pyrazol-1-ylbenzyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C26H40N4O+2 MolecularWeight: 424.622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](CC3CCCO3)CC4=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)C[NH+](C[C@H]3CCCO3)CC4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C26H38N4O/c1-2-8-24(7-1)29-15-11-22(12-16-29)19-28(21-26-10-4-17-31-26)20-23-6-3-9-25(18-23)30-14-5-13-27-30/h3,5-6,9,13-14,18,22,24,26H,1-2,4,7-8,10-12,15-17,19-21H2/p+2/t26-/m1/s1