(2-cyclopropylquinolin-4-yl)-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-cyclopropylquinolin-4-yl)-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-cyclopropyl-4-quinolyl)-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-cyclopropyl-4-quinolinyl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-cyclopropylquinolin-4-yl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-cyclopropyl-4-quinolyl)-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C25H27FN3O2+ MolecularWeight: 420.499183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C25H26FN3O2/c1-31-24-9-8-19(26)14-18(24)16-28-10-12-29(13-11-28)25(30)21-15-23(17-6-7-17)27-22-5-3-2-4-20(21)22/h2-5,8-9,14-15,17H,6-7,10-13,16H2,1H3/p+1