prop-2-enyl 4-(2-oxidanylidene-2-prop-2-enoxy-ethyl)-2-pyrrolidin-2-ylcarbonyl-4-sulfanyl-piperazin-4-ium-1-carboxylate

Systemtic Name: prop-2-enyl 4-(2-oxidanylidene-2-prop-2-enoxy-ethyl)-2-pyrrolidin-2-ylcarbonyl-4-sulfanyl-piperazin-4-ium-1-carboxylate Openeye Name: allyl 4-(2-allyloxy-2-oxo-ethyl)-2-(pyrrolidine-2-carbonyl)-4-sulfanyl-piperazin-4-ium-1-carboxylate CAS Name: 4-mercapto-4-(2-oxo-2-prop-2-enoxyethyl)-2-[oxo(2-pyrrolidinyl)methyl]-1-piperazin-4-iumcarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-(2-oxo-2-prop-2-enoxyethyl)-2-(pyrrolidine-2-carbonyl)-4-sulfanylpiperazin-4-ium-1-carboxylate Traditional Name: 4-(2-allyloxy-2-keto-ethyl)-4-mercapto-2-prolyl-piperazin-4-ium-1-carboxylic acid allyl ester Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N3O5S/c1-3-10-25-16(22)13-21(27)9-8-20(18(24)26-11-4-2)15(12-21)17(23)14-6-5-7-19-14/h3-4,14-15,19,27H,1-2,5-13H2/q+1