2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: N-(3-methoxypropyl)-2-[4-(piperonylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C[NH+]1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCCCNC(=O)C[NH+]1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H28N4O4S/c1-25-10-2-5-20-18(24)13-22-6-8-23(9-7-22)19(28)21-12-15-3-4-16-17(11-15)27-14-26-16/h3-4,11H,2,5-10,12-14H2,1H3,(H,20,24)(H,21,28)/p+1