bis(prop-2-enyl) 5-oxidanylidene-2-(4-sulfanylpyrrolidin-2-yl)piperazin-1-ium-1,1-dicarboxylate

Systemtic Name: bis(prop-2-enyl) 5-oxidanylidene-2-(4-sulfanylpyrrolidin-2-yl)piperazin-1-ium-1,1-dicarboxylate Openeye Name: diallyl 5-oxo-2-(4-sulfanylpyrrolidin-2-yl)piperazin-1-ium-1,1-dicarboxylate CAS Name: 2-(4-mercapto-2-pyrrolidinyl)-5-oxopiperazin-1-ium-1,1-dicarboxylic acid bis(prop-2-enyl) ester IUPAC Name: bis(prop-2-enyl) 5-oxo-2-(4-sulfanylpyrrolidin-2-yl)piperazin-1-ium-1,1-dicarboxylate Traditional Name: 5-keto-2-(4-mercaptopyrrolidin-2-yl)piperazin-1-ium-1,1-dicarboxylic acid diallyl ester Formula: C16H24N3O5S+ MolecularWeight: 370.44386

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)[N+]1(CC(=O)NCC1C2CC(CN2)S)C(=O)OCC=C

Isomeric SMILES

C=CCOC(=O)[N+]1(CC(=O)NCC1C2CC(CN2)S)C(=O)OCC=C

InChI

InChI=1S/C16H23N3O5S/c1-3-5-23-15(21)19(16(22)24-6-4-2)10-14(20)18-9-13(19)12-7-11(25)8-17-12/h3-4,11-13,17H,1-2,5-10H2,(H-,18,20,25)/p+1