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

Systemtic Name: (4S)-4-methyl-2-[3-(4-phenylpiperazin-1-yl)carbonylquinolin-2-yl]-4-propan-2-yl-1H-imidazol-3-ium-5-one Openeye Name: (4S)-4-isopropyl-4-methyl-2-[3-(4-phenylpiperazine-1-carbonyl)-2-quinolyl]-1H-imidazol-3-ium-5-one CAS Name: (4S)-4-methyl-2-[3-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-quinolinyl]-4-propan-2-yl-1H-imidazol-3-ium-5-one IUPAC Name: (4S)-4-methyl-2-[3-(4-phenylpiperazine-1-carbonyl)quinolin-2-yl]-4-propan-2-yl-1H-imidazol-3-ium-5-one Traditional Name: (5S)-5-isopropyl-5-methyl-2-[3-(4-phenylpiperazine-1-carbonyl)-2-quinolyl]-2-imidazolin-1-ium-4-one Formula: C27H30N5O2+ MolecularWeight: 456.5594

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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=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O2/c1-18(2)27(3)26(34)29-24(30-27)23-21(17-19-9-7-8-12-22(19)28-23)25(33)32-15-13-31(14-16-32)20-10-5-4-6-11-20/h4-12,17-18H,13-16H2,1-3H3,(H,29,30,34)/p+1/t27-/m0/s1