[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C15H22N3OS2+ MolecularWeight: 324.48468

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C15H21N3OS2/c1-17-7-9-18(10-8-17)15(20)21-12-14(19)16-11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,16,19)/p+1