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

Systemtic Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-(4-piperidin-1-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-2-pyrrolyl]-2-[4-[oxo(1-piperidinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[3-cyano-1-(3-fluorophenyl)-4,5-dimethyl-pyrrol-2-yl]-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C25H32FN6O2+ MolecularWeight: 467.558983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)N3CCCCC3)C4=CC(=CC=C4)F)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)N3CCCCC3)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C25H31FN6O2/c1-18-19(2)32(21-8-6-7-20(26)15-21)24(22(18)16-27)28-23(33)17-29-11-13-31(14-12-29)25(34)30-9-4-3-5-10-30/h6-8,15H,3-5,9-14,17H2,1-2H3,(H,28,33)/p+1