2-(4-cyano-2-ethoxy-phenoxy)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(4-cyano-2-ethoxyphenoxy)-N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(4-cyano-2-ethoxyphenoxy)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NCC(C2=CC=CS2)[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OCC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCC(CC3)C

InChI

InChI=1S/C23H29N3O3S/c1-3-28-21-13-18(14-24)6-7-20(21)29-16-23(27)25-15-19(22-5-4-12-30-22)26-10-8-17(2)9-11-26/h4-7,12-13,17,19H,3,8-11,15-16H2,1-2H3,(H,25,27)/p+1/t19-/m0/s1