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

Systemtic Name: 3-bromanyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide Openeye Name: 3-bromo-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide CAS Name: 3-bromo-5-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzenecarbothioamide IUPAC Name: 3-bromo-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide Traditional Name: 3-bromo-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)thiobenzamide Formula: C14H20BrN2O2S+ MolecularWeight: 360.2898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N)Br)OCC[NH+]2CCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N)Br)OCC[NH+]2CCCC2

InChI

InChI=1S/C14H19BrN2O2S/c1-18-12-9-10(14(16)20)8-11(15)13(12)19-7-6-17-4-2-3-5-17/h8-9H,2-7H2,1H3,(H2,16,20)/p+1