[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl] ester Formula: C19H28N3OS2+ MolecularWeight: 378.57512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=S)SCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H27N3OS2/c23-18(15-25-19(24)22-10-4-5-11-22)20-17-8-12-21(13-9-17)14-16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(H,20,23)/p+1