3-bromanyl-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide

Systemtic Name: 3-bromanyl-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide Openeye Name: 3-bromo-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide CAS Name: 3-bromo-5-ethoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzenecarbothioamide IUPAC Name: 3-bromo-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide Traditional Name: 3-bromo-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)thiobenzamide Formula: C15H22BrN2O2S+ MolecularWeight: 374.31638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrN2O2S/c1-2-19-13-10-11(15(17)21)9-12(16)14(13)20-8-7-18-5-3-4-6-18/h9-10H,2-8H2,1H3,(H2,17,21)/p+1