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

Systemtic Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-2-(4-propanoylphenoxy)ethanamide Openeye Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(4-propanoylphenoxy)acetamide CAS Name: N-[(2S)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-[4-(1-oxopropyl)phenoxy]acetamide IUPAC Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide Traditional Name: N-[(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2-(4-propionylphenoxy)acetamide Formula: C23H31N2O3S+ MolecularWeight: 415.56884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-3-21(26)18-6-8-19(9-7-18)28-16-23(27)24-15-20(22-5-4-14-29-22)25-12-10-17(2)11-13-25/h4-9,14,17,20H,3,10-13,15-16H2,1-2H3,(H,24,27)/p+1/t20-/m0/s1