2-(4-ethylphenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-(4-ethylphenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(4-ethylphenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]acetamide CAS Name: 2-(4-ethylphenoxy)-N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]acetamide IUPAC Name: 2-(4-ethylphenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(4-ethylphenoxy)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]acetamide Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC2=NC(=CS2)C[NH+]3CCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC2=NC(=CS2)C[NH+]3CCCC3

InChI

InChI=1S/C18H23N3O2S/c1-2-14-5-7-16(8-6-14)23-12-17(22)20-18-19-15(13-24-18)11-21-9-3-4-10-21/h5-8,13H,2-4,9-12H2,1H3,(H,19,20,22)/p+1