5-bromanyl-2-(2-piperidin-1-ium-1-ylethoxy)benzenecarbothioamide

Systemtic Name: 5-bromanyl-2-(2-piperidin-1-ium-1-ylethoxy)benzenecarbothioamide Openeye Name: 5-bromo-2-(2-piperidin-1-ium-1-ylethoxy)benzenecarbothioamide CAS Name: 5-bromo-2-[2-(1-piperidin-1-iumyl)ethoxy]benzenecarbothioamide IUPAC Name: 5-bromo-2-(2-piperidin-1-ium-1-ylethoxy)benzenecarbothioamide Traditional Name: 5-bromo-2-(2-piperidin-1-ium-1-ylethoxy)thiobenzamide Formula: C14H20BrN2OS+ MolecularWeight: 344.2904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Br)C(=S)N

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Br)C(=S)N

InChI

InChI=1S/C14H19BrN2OS/c15-11-4-5-13(12(10-11)14(16)19)18-9-8-17-6-2-1-3-7-17/h4-5,10H,1-3,6-9H2,(H2,16,19)/p+1