prop-2-enyl 4-methyl-2-pyrrolidin-2-ylcarbonyl-4-sulfanyl-piperazin-4-ium-1-carboxylate

Systemtic Name: prop-2-enyl 4-methyl-2-pyrrolidin-2-ylcarbonyl-4-sulfanyl-piperazin-4-ium-1-carboxylate Openeye Name: allyl 4-methyl-2-(pyrrolidine-2-carbonyl)-4-sulfanyl-piperazin-4-ium-1-carboxylate CAS Name: 4-mercapto-4-methyl-2-[oxo(2-pyrrolidinyl)methyl]-1-piperazin-4-iumcarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-methyl-2-(pyrrolidine-2-carbonyl)-4-sulfanylpiperazin-4-ium-1-carboxylate Traditional Name: 4-mercapto-4-methyl-2-prolyl-piperazin-4-ium-1-carboxylic acid allyl ester Formula: C14H24N3O3S+ MolecularWeight: 314.42366

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(C(C1)C(=O)C2CCCN2)C(=O)OCC=C)S

Isomeric SMILES

C[N+]1(CCN(C(C1)C(=O)C2CCCN2)C(=O)OCC=C)S

InChI

InChI=1S/C14H24N3O3S/c1-3-9-20-14(19)16-7-8-17(2,21)10-12(16)13(18)11-5-4-6-15-11/h3,11-12,15,21H,1,4-10H2,2H3/q+1