3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide

Systemtic Name: 3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide Openeye Name: 3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide CAS Name: 3-ethoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzenecarbothioamide IUPAC Name: 3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide Traditional Name: 3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)thiobenzamide Formula: C15H23N2O2S+ MolecularWeight: 295.42032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N)OCC[NH+]2CCCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N)OCC[NH+]2CCCC2

InChI

InChI=1S/C15H22N2O2S/c1-2-18-14-11-12(15(16)20)5-6-13(14)19-10-9-17-7-3-4-8-17/h5-6,11H,2-4,7-10H2,1H3,(H2,16,20)/p+1