2-(5-methyl-2-propan-2-yl-phenoxy)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenoxy)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NCC(C2=CC=CS2)[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC[C@H](C2=CC=CS2)[NH+]3CCCC3

InChI

InChI=1S/C22H30N2O2S/c1-16(2)18-9-8-17(3)13-20(18)26-15-22(25)23-14-19(21-7-6-12-27-21)24-10-4-5-11-24/h6-9,12-13,16,19H,4-5,10-11,14-15H2,1-3H3,(H,23,25)/p+1/t19-/m1/s1