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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C26H36N5O3+ MolecularWeight: 466.59574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)CC4=CC=CO4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)CC4=CC=CO4)C

InChI

InChI=1S/C26H35N5O3/c1-19-20(2)31(17-22-8-7-15-34-22)25(23(19)16-27)28-24(32)18-29-13-9-21(10-14-29)26(33)30-11-5-3-4-6-12-30/h7-8,15,21H,3-6,9-14,17-18H2,1-2H3,(H,28,32)/p+1