[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C16H22N3O3S2+ MolecularWeight: 368.49418

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H21N3O3S2/c1-18-4-6-19(7-5-18)16(23)24-11-15(20)17-12-2-3-13-14(10-12)22-9-8-21-13/h2-3,10H,4-9,11H2,1H3,(H,17,20)/p+1