ethyl 2-[(2S)-2-[5-(pyridin-2-ylmethylcarbamoyl)thiophen-2-yl]pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[(2S)-2-[5-(pyridin-2-ylmethylcarbamoyl)thiophen-2-yl]pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[(2S)-2-[5-(2-pyridylmethylcarbamoyl)-2-thienyl]pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[(2S)-2-[5-[oxo-(2-pyridinylmethylamino)methyl]-2-thiophenyl]-1-pyrrolidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-2-[5-(pyridin-2-ylmethylcarbamoyl)thiophen-2-yl]pyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[(2S)-2-[5-(2-pyridylmethylcarbamoyl)-2-thienyl]pyrrolidin-1-ium-1-yl]acetic acid ethyl ester Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCCC1C2=CC=C(S2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C[NH+]1CCC[C@H]1C2=CC=C(S2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C19H23N3O3S/c1-2-25-18(23)13-22-11-5-7-15(22)16-8-9-17(26-16)19(24)21-12-14-6-3-4-10-20-14/h3-4,6,8-10,15H,2,5,7,11-13H2,1H3,(H,21,24)/p+1/t15-/m0/s1