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

Systemtic Name: 4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 4-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-carbonyl]benzonitrile Formula: C20H21FN3O2+ MolecularWeight: 354.398043

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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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O2/c1-26-19-7-6-18(21)12-17(19)14-23-8-10-24(11-9-23)20(25)16-4-2-15(13-22)3-5-16/h2-7,12H,8-11,14H2,1H3/p+1