ethyl 2-[(2S)-2-[5-(3-imidazol-1-ylpropylcarbamoyl)thiophen-2-yl]pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[(2S)-2-[5-(3-imidazol-1-ylpropylcarbamoyl)thiophen-2-yl]pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[(2S)-2-[5-(3-imidazol-1-ylpropylcarbamoyl)-2-thienyl]pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[(2S)-2-[5-[[3-(1-imidazolyl)propylamino]-oxomethyl]-2-thiophenyl]-1-pyrrolidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-2-[5-(3-imidazol-1-ylpropylcarbamoyl)thiophen-2-yl]pyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[(2S)-2-[5-(3-imidazol-1-ylpropylcarbamoyl)-2-thienyl]pyrrolidin-1-ium-1-yl]acetic acid ethyl ester Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCCC1C2=CC=C(S2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CCOC(=O)C[NH+]1CCC[C@H]1C2=CC=C(S2)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C19H26N4O3S/c1-2-26-18(24)13-23-11-3-5-15(23)16-6-7-17(27-16)19(25)21-8-4-10-22-12-9-20-14-22/h6-7,9,12,14-15H,2-5,8,10-11,13H2,1H3,(H,21,25)/p+1/t15-/m0/s1