(1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(5-ethanoylthiophen-3-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: (1-cyclopentylpiperidin-1-ium-4-yl)methyl-[(5-ethanoylthiophen-3-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: (5-acetyl-3-thienyl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (5-acetyl-3-thiophenyl)methyl-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: (5-acetylthiophen-3-yl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: (5-acetyl-3-thienyl)methyl-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C23H38N2O2S+2 MolecularWeight: 406.62502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+](CC2CC[NH+](CC2)C3CCCC3)CC4CCCO4

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+](C[C@H]2CCCO2)CC3CC[NH+](CC3)C4CCCC4

InChI

InChI=1S/C23H36N2O2S/c1-18(26)23-13-20(17-28-23)15-24(16-22-7-4-12-27-22)14-19-8-10-25(11-9-19)21-5-2-3-6-21/h13,17,19,21-22H,2-12,14-16H2,1H3/p+2/t22-/m1/s1