2-(4-propanoylphenoxy)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-(4-propanoylphenoxy)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(4-propanoylphenoxy)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-(1-oxopropyl)phenoxy]-N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(4-propanoylphenoxy)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(4-propionylphenoxy)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-2-19(24)16-7-9-17(10-8-16)26-15-21(25)22-14-18(20-6-5-13-27-20)23-11-3-4-12-23/h5-10,13,18H,2-4,11-12,14-15H2,1H3,(H,22,25)/p+1/t18-/m1/s1