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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S/c1-15-14(20)17-6-4-16(5-7-17)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