2-cyclopropyl-1-[(4-fluorophenyl)methyl]-6-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-4-one

Systemtic Name: 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-6-methyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-4-one Openeye Name: 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-6-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridin-4-one CAS Name: 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-6-methyl-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-4-pyridinone IUPAC Name: 2-cyclopropyl-1-[(4-fluorophenyl)methyl]-6-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridin-4-one Traditional Name: 2-cyclopropyl-1-(4-fluorobenzyl)-6-methyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-4-pyridone Formula: C26H28FN4O2+ MolecularWeight: 447.524523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC=C(C=C2)F)C3CC3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC=C(C=C2)F)C3CC3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H27FN4O2/c1-18-16-22(32)24(25(20-7-8-20)31(18)17-19-5-9-21(27)10-6-19)26(33)30-14-12-29(13-15-30)23-4-2-3-11-28-23/h2-6,9-11,16,20H,7-8,12-15,17H2,1H3/p+1