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

Systemtic Name: [2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-phenyl-methanone Openeye Name: [2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenyl-methanone CAS Name: [2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone Traditional Name: [2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carbonyl]phenyl]-phenyl-methanone Formula: C26H26FN2O3+ MolecularWeight: 433.494643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C26H25FN2O3/c1-32-24-12-11-19(17-23(24)27)18-28-13-15-29(16-14-28)26(31)22-10-6-5-9-21(22)25(30)20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3/p+1