ethyl 4-[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophen-2-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophen-2-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[5-[(2R)-2-pyrrolidin-1-iumyl]-2-thiophenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-[(2R)-pyrrolidin-1-ium-2-yl]thiophene-2-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(S2)C3CCC[NH2+]3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(S2)[C@H]3CCC[NH2+]3

InChI

InChI=1S/C16H23N3O3S/c1-2-22-16(21)19-10-8-18(9-11-19)15(20)14-6-5-13(23-14)12-4-3-7-17-12/h5-6,12,17H,2-4,7-11H2,1H3/p+1/t12-/m1/s1