prop-2-enyl 4-(2-hydroxyethyl)-2-pyrrolidin-2-ylcarbonyl-4-sulfanyl-piperazin-4-ium-1-carboxylate

Systemtic Name: prop-2-enyl 4-(2-hydroxyethyl)-2-pyrrolidin-2-ylcarbonyl-4-sulfanyl-piperazin-4-ium-1-carboxylate Openeye Name: allyl 4-(2-hydroxyethyl)-2-(pyrrolidine-2-carbonyl)-4-sulfanyl-piperazin-4-ium-1-carboxylate CAS Name: 4-(2-hydroxyethyl)-4-mercapto-2-[oxo(2-pyrrolidinyl)methyl]-1-piperazin-4-iumcarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-(2-hydroxyethyl)-2-(pyrrolidine-2-carbonyl)-4-sulfanylpiperazin-4-ium-1-carboxylate Traditional Name: 4-(2-hydroxyethyl)-4-mercapto-2-prolyl-piperazin-4-ium-1-carboxylic acid allyl ester Formula: C15H26N3O4S+ MolecularWeight: 344.44964

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC[N+](CC1C(=O)C2CCCN2)(CCO)S

Isomeric SMILES

C=CCOC(=O)N1CC[N+](CC1C(=O)C2CCCN2)(CCO)S

InChI

InChI=1S/C15H26N3O4S/c1-2-10-22-15(21)17-6-7-18(23,8-9-19)11-13(17)14(20)12-4-3-5-16-12/h2,12-13,16,19,23H,1,3-11H2/q+1