4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide

Systemtic Name: 4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide Openeye Name: 4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide CAS Name: 4-methoxy-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzenecarbothioamide IUPAC Name: 4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzenecarbothioamide Traditional Name: 4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)thiobenzamide Formula: C14H21N2O2S+ MolecularWeight: 281.39374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2S/c1-17-11-4-5-12(14(15)19)13(10-11)18-9-8-16-6-2-3-7-16/h4-5,10H,2-3,6-9H2,1H3,(H2,15,19)/p+1