2-(azepan-1-ium-1-yl)-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-2-pyrrolyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C22H28FN4O+ MolecularWeight: 383.482323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCCC2)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCCC2)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H27FN4O/c1-16-17(2)27(14-18-7-9-19(23)10-8-18)22(20(16)13-24)25-21(28)15-26-11-5-3-4-6-12-26/h7-10H,3-6,11-12,14-15H2,1-2H3,(H,25,28)/p+1