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

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(3-ethoxy-4-hydroxy-phenyl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (1-cyclopentyl-4-piperidin-1-iumyl)methyl-[(3-ethoxy-4-hydroxyphenyl)methyl]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(3-ethoxy-4-hydroxyphenyl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-(3-ethoxy-4-hydroxy-benzyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C25H42N2O3+2 MolecularWeight: 418.61258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4CCCO4)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+](C[C@H]2CCCO2)CC3CC[NH+](CC3)C4CCCC4)O

InChI

InChI=1S/C25H40N2O3/c1-2-29-25-16-21(9-10-24(25)28)18-26(19-23-8-5-15-30-23)17-20-11-13-27(14-12-20)22-6-3-4-7-22/h9-10,16,20,22-23,28H,2-8,11-15,17-19H2,1H3/p+2/t23-/m1/s1