[2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[[2-(4-morpholin-4-iumylmethyl)phenyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-keto-2-[[2-(morpholin-4-ium-4-ylmethyl)benzyl]amino]ethyl] ester Formula: C19H28N3O2S2+ MolecularWeight: 394.57452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C19H27N3O2S2/c23-18(15-26-19(25)22-7-3-4-8-22)20-13-16-5-1-2-6-17(16)14-21-9-11-24-12-10-21/h1-2,5-6H,3-4,7-15H2,(H,20,23)/p+1