[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C15H20N3O3S2+ MolecularWeight: 354.4676

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H19N3O3S2/c1-17-4-6-18(7-5-17)15(22)23-9-14(19)16-11-2-3-12-13(8-11)21-10-20-12/h2-3,8H,4-7,9-10H2,1H3,(H,16,19)/p+1