2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid 2-phthalimidoethyl ester Formula: C16H20N3O2S2+ MolecularWeight: 350.4789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H19N3O2S2/c1-17-6-8-18(9-7-17)16(22)23-11-10-19-14(20)12-4-2-3-5-13(12)15(19)21/h2-5H,6-11H2,1H3/p+1