3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-benzamide

Systemtic Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[[(2R)-oxolan-2-yl]methyl]-N-propyl-benzamide Openeye Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-propyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: 3-[[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]oxy]-N-[[(2R)-2-oxolanyl]methyl]-N-propylbenzamide IUPAC Name: 3-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-N-[[(2R)-oxolan-2-yl]methyl]-N-propylbenzamide Traditional Name: 3-(1-neopentylpiperidin-1-ium-4-yl)oxy-N-propyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide Formula: C25H41N2O3+ MolecularWeight: 417.60464

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CCCO1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)CC(C)(C)C

Isomeric SMILES

CCCN(C[C@H]1CCCO1)C(=O)C2=CC(=CC=C2)OC3CC[NH+](CC3)CC(C)(C)C

InChI

InChI=1S/C25H40N2O3/c1-5-13-27(18-23-10-7-16-29-23)24(28)20-8-6-9-22(17-20)30-21-11-14-26(15-12-21)19-25(2,3)4/h6,8-9,17,21,23H,5,7,10-16,18-19H2,1-4H3/p+1/t23-/m1/s1