ethyl 2-[(2S)-2-[5-(2-imidazol-1-ylethylcarbamoyl)thiophen-2-yl]pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[(2S)-2-[5-(2-imidazol-1-ylethylcarbamoyl)thiophen-2-yl]pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[(2S)-2-[5-(2-imidazol-1-ylethylcarbamoyl)-2-thienyl]pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[(2S)-2-[5-[[2-(1-imidazolyl)ethylamino]-oxomethyl]-2-thiophenyl]-1-pyrrolidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-2-[5-(2-imidazol-1-ylethylcarbamoyl)thiophen-2-yl]pyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[(2S)-2-[5-(2-imidazol-1-ylethylcarbamoyl)-2-thienyl]pyrrolidin-1-ium-1-yl]acetic acid ethyl ester Formula: C18H25N4O3S+ MolecularWeight: 377.4811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCCC1C2=CC=C(S2)C(=O)NCCN3C=CN=C3

Isomeric SMILES

CCOC(=O)C[NH+]1CCC[C@H]1C2=CC=C(S2)C(=O)NCCN3C=CN=C3

InChI

InChI=1S/C18H24N4O3S/c1-2-25-17(23)12-22-9-3-4-14(22)15-5-6-16(26-15)18(24)20-8-11-21-10-7-19-13-21/h5-7,10,13-14H,2-4,8-9,11-12H2,1H3,(H,20,24)/p+1/t14-/m0/s1