[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-keto-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethyl] ester Formula: C22H28N3OS2+ MolecularWeight: 414.60722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H27N3OS2/c26-21(17-28-22(27)25-10-3-4-11-25)24-14-12-23(13-15-24)16-19-8-5-7-18-6-1-2-9-20(18)19/h1-2,5-9H,3-4,10-17H2/p+1