1-cyclopropyl-6,7-bis(fluoranyl)-8-methoxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-quinolin-4-one

Systemtic Name: 1-cyclopropyl-6,7-bis(fluoranyl)-8-methoxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-quinolin-4-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-cyclopropyl-6,7-difluoro-8-methoxy-quinolin-4-one CAS Name: 1-cyclopropyl-6,7-difluoro-8-methoxy-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4-quinolinone IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-cyclopropyl-6,7-difluoro-8-methoxyquinolin-4-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-cyclopropyl-6,7-difluoro-8-methoxy-4-quinolone Formula: C25H26F2N3O3+ MolecularWeight: 454.489046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H25F2N3O3/c1-33-24-21(27)20(26)13-18-22(24)30(17-7-8-17)15-19(23(18)31)25(32)29-11-9-28(10-12-29)14-16-5-3-2-4-6-16/h2-6,13,15,17H,7-12,14H2,1H3/p+1