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4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)piperazin-4-ium-1-carbothioamide

4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name:4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)piperazin-4-ium-1-carbothioamide
Openeye Name:4-(1,3-benzodioxol-5-ylmethyl)-N-isobutyl-piperazin-4-ium-1-carbothioamide
CAS Name:4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)-1-piperazin-4-iumcarbothioamide
IUPAC Name:4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)piperazin-4-ium-1-carbothioamide
Traditional Name:N-isobutyl-4-piperonyl-piperazin-4-ium-1-carbothioamide
Formula: C17H26N3O2S+
MolecularWeight: 336.47224
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H25N3O2S/c1-13(2)10-18-17(23)20-7-5-19(6-8-20)11-14-3-4-15-16(9-14)22-12-21-15/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,18,23)/p+1


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