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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCNC(=S)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H21N3O2S/c1-2-16-15(21)18-7-5-17(6-8-18)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