[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone

Systemtic Name: [4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone Openeye Name: [4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone CAS Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone IUPAC Name: [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone Traditional Name: [4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(3-phenylanthranil-5-yl)methanone Formula: C26H25FN3O3+ MolecularWeight: 446.493403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5)F

InChI

InChI=1S/C26H24FN3O3/c1-32-24-10-7-18(15-22(24)27)17-29-11-13-30(14-12-29)26(31)20-8-9-23-21(16-20)25(33-28-23)19-5-3-2-4-6-19/h2-10,15-16H,11-14,17H2,1H3/p+1