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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N4O/c1-2-6-24(5-1)29-16-12-23(13-17-29)20-28(21-26-7-3-18-31-26)19-22-8-10-25(11-9-22)30-15-4-14-27-30/h4,8-11,14-15,23-24,26H,1-3,5-7,12-13,16-21H2/p+2/t26-/m1/s1