N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidene-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylidene-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-thioxo-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-1-piperazin-4-iumyl)-2-sulfanylideneacetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperazin-4-ium-1-yl)-2-sulfanylideneacetamide Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)-N-piperonyl-2-thioxo-acetamide Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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