(4S)-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]carbonylquinolin-2-yl]-4-methyl-4-propan-2-yl-1H-imidazol-3-ium-5-one

Systemtic Name: (4S)-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]carbonylquinolin-2-yl]-4-methyl-4-propan-2-yl-1H-imidazol-3-ium-5-one Openeye Name: (4S)-2-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-quinolyl]-4-isopropyl-4-methyl-1H-imidazol-3-ium-5-one CAS Name: (4S)-2-[3-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-quinolinyl]-4-methyl-4-propan-2-yl-1H-imidazol-3-ium-5-one IUPAC Name: (4S)-2-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]quinolin-2-yl]-4-methyl-4-propan-2-yl-1H-imidazol-3-ium-5-one Traditional Name: (5S)-2-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-quinolyl]-5-isopropyl-5-methyl-2-imidazolin-1-ium-4-one Formula: C27H29FN5O2+ MolecularWeight: 474.549863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=[NH+]1)C2=NC3=CC=CC=C3C=C2C(=O)N4CCN(CC4)C5=CC=C(C=C5)F)C

Isomeric SMILES

CC(C)[C@]1(C(=O)NC(=[NH+]1)C2=NC3=CC=CC=C3C=C2C(=O)N4CCN(CC4)C5=CC=C(C=C5)F)C

InChI

InChI=1S/C27H28FN5O2/c1-17(2)27(3)26(35)30-24(31-27)23-21(16-18-6-4-5-7-22(18)29-23)25(34)33-14-12-32(13-15-33)20-10-8-19(28)9-11-20/h4-11,16-17H,12-15H2,1-3H3,(H,30,31,35)/p+1/t27-/m0/s1