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

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C18H23N4O2+ MolecularWeight: 327.40082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCC2)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCC2)CC3=CC=CO3)C

InChI

InChI=1S/C18H22N4O2/c1-13-14(2)22(11-15-6-5-9-24-15)18(16(13)10-19)20-17(23)12-21-7-3-4-8-21/h5-6,9H,3-4,7-8,11-12H2,1-2H3,(H,20,23)/p+1