[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-oxo-2-(2-oxochromen-3-yl)ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxochromen-3-yl)ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-keto-2-(2-ketochromen-3-yl)ethyl] ester Formula: C17H19N2O3S2+ MolecularWeight: 363.47436

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C17H18N2O3S2/c1-18-6-8-19(9-7-18)17(23)24-11-14(20)13-10-12-4-2-3-5-15(12)22-16(13)21/h2-5,10H,6-9,11H2,1H3/p+1