N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCC2C3=CC=CS3)CC4=CC=CO4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCC[C@H]2C3=CC=CS3)CC4=CC=CO4)C

InChI

InChI=1S/C22H24N4O2S/c1-15-16(2)26(13-17-6-4-10-28-17)22(18(15)12-23)24-21(27)14-25-9-3-7-19(25)20-8-5-11-29-20/h4-6,8,10-11,19H,3,7,9,13-14H2,1-2H3,(H,24,27)/p+1/t19-/m0/s1