1-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidin-1-ium-4-carbothioamide

Systemtic Name: 1-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidin-1-ium-4-carbothioamide Openeye Name: 1-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidin-1-ium-4-carbothioamide CAS Name: 1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-piperidin-1-iumcarbothioamide IUPAC Name: 1-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidin-1-ium-4-carbothioamide Traditional Name: 1-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidin-1-ium-4-carbothioamide Formula: C15H21N2O3S+ MolecularWeight: 309.40384

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=S)N)CCOC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[NH+](CCC1C(=S)N)CCOC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H20N2O3S/c16-15(21)11-3-5-17(6-4-11)7-8-18-12-1-2-13-14(9-12)20-10-19-13/h1-2,9,11H,3-8,10H2,(H2,16,21)/p+1