N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-ethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-ethyl-N-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H21N3O2S/c1-2-17-5-7-18(8-6-17)15(21)16-10-12-3-4-13-14(9-12)20-11-19-13/h3-4,9H,2,5-8,10-11H2,1H3,(H,16,21)/p+1