N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbothioylethanamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbothioylethanamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbothioyl]acetamide CAS Name: N-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]acetamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbothioyl]acetamide Traditional Name: N-(4-piperonylpiperazin-4-ium-1-carbothioyl)acetamide Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S/c1-11(19)16-15(22)18-6-4-17(5-7-18)9-12-2-3-13-14(8-12)21-10-20-13/h2-3,8H,4-7,9-10H2,1H3,(H,16,19,22)/p+1