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

Systemtic Name: (4S)-4-methyl-4-propan-2-yl-2-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylquinolin-2-yl]-1H-imidazol-3-ium-5-one Openeye Name: (4S)-4-isopropyl-4-methyl-2-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-quinolyl]-1H-imidazol-3-ium-5-one CAS Name: (4S)-4-methyl-2-[3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-quinolinyl]-4-propan-2-yl-1H-imidazol-3-ium-5-one IUPAC Name: (4S)-4-methyl-4-propan-2-yl-2-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)quinolin-2-yl]-1H-imidazol-3-ium-5-one Traditional Name: (5S)-5-isopropyl-5-methyl-2-[3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-2-quinolyl]-2-imidazolin-1-ium-4-one Formula: C26H30N6O2+2 MolecularWeight: 458.5554

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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=CC=[NH+]5)C

Isomeric SMILES

CC(C)[C@]1(C(=O)NC(=[NH+]1)C2=NC3=CC=CC=C3C=C2C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C

InChI

InChI=1S/C26H28N6O2/c1-17(2)26(3)25(34)29-23(30-26)22-19(16-18-8-4-5-9-20(18)28-22)24(33)32-14-12-31(13-15-32)21-10-6-7-11-27-21/h4-11,16-17H,12-15H2,1-3H3,(H,29,30,34)/p+2/t26-/m0/s1