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

Systemtic Name: [4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-quinolin-2-yl-methanone Openeye Name: [4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-quinolyl)methanone CAS Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(2-quinolinyl)methanone IUPAC Name: [4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-quinolin-2-ylmethanone Traditional Name: [4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-(2-quinolyl)methanone Formula: C22H23FN3O2+ MolecularWeight: 380.435323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H22FN3O2/c1-28-21-9-7-18(23)14-17(21)15-25-10-12-26(13-11-25)22(27)20-8-6-16-4-2-3-5-19(16)24-20/h2-9,14H,10-13,15H2,1H3/p+1