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

Systemtic Name: prop-2-enyl 4-(2-methoxyethyl)-2-pyrrolidin-2-ylcarbonyl-4-sulfanyl-piperazin-4-ium-1-carboxylate Openeye Name: allyl 4-(2-methoxyethyl)-2-(pyrrolidine-2-carbonyl)-4-sulfanyl-piperazin-4-ium-1-carboxylate CAS Name: 4-mercapto-4-(2-methoxyethyl)-2-[oxo(2-pyrrolidinyl)methyl]-1-piperazin-4-iumcarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-(2-methoxyethyl)-2-(pyrrolidine-2-carbonyl)-4-sulfanylpiperazin-4-ium-1-carboxylate Traditional Name: 4-mercapto-4-(2-methoxyethyl)-2-prolyl-piperazin-4-ium-1-carboxylic acid allyl ester Formula: C16H28N3O4S+ MolecularWeight: 358.47622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N3O4S/c1-3-10-23-16(21)18-7-8-19(24,9-11-22-2)12-14(18)15(20)13-5-4-6-17-13/h3,13-14,17,24H,1,4-12H2,2H3/q+1