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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylallyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylprop-2-enyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylprop-2-enyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-methylallyl)-4-piperonyl-piperazin-4-ium-1-carbothioamide Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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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/C17H23N3O2S/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/h3-4,9H,1,5-8,10-12H2,2H3,(H,18,23)/p+1