N-(2,4-dimethoxyphenyl)-2-[2-(pyrrolidin-1-ium-1-ylmethyl)-4-thiophen-2-yl-phenoxy]ethanamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-[2-(pyrrolidin-1-ium-1-ylmethyl)-4-thiophen-2-yl-phenoxy]ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-[2-(pyrrolidin-1-ium-1-ylmethyl)-4-(2-thienyl)phenoxy]acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[2-(1-pyrrolidin-1-iumylmethyl)-4-thiophen-2-ylphenoxy]acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[2-(pyrrolidin-1-ium-1-ylmethyl)-4-thiophen-2-ylphenoxy]acetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-[2-(pyrrolidin-1-ium-1-ylmethyl)-4-(2-thienyl)phenoxy]acetamide Formula: C25H29N2O4S+ MolecularWeight: 453.57376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C3=CC=CS3)C[NH+]4CCCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C3=CC=CS3)C[NH+]4CCCC4)OC

InChI

InChI=1S/C25H28N2O4S/c1-29-20-8-9-21(23(15-20)30-2)26-25(28)17-31-22-10-7-18(24-6-5-13-32-24)14-19(22)16-27-11-3-4-12-27/h5-10,13-15H,3-4,11-12,16-17H2,1-2H3,(H,26,28)/p+1