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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S/c1-16-4-6-17(7-5-16)14(20)15-9-11-2-3-12-13(8-11)19-10-18-12/h2-3,8H,4-7,9-10H2,1H3,(H,15,20)/p+1