N-(2-methyl-6-propan-2-yl-phenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCC[C@@H]2C3=CC=CS3

InChI

InChI=1S/C20H26N2OS/c1-14(2)16-8-4-7-15(3)20(16)21-19(23)13-22-11-5-9-17(22)18-10-6-12-24-18/h4,6-8,10,12,14,17H,5,9,11,13H2,1-3H3,(H,21,23)/p+1/t17-/m1/s1