4-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-2-keto-ethoxy]benzonitrile Formula: C21H23FN3O3+ MolecularWeight: 384.424023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C21H22FN3O3/c1-27-20-7-4-17(12-19(20)22)14-24-8-10-25(11-9-24)21(26)15-28-18-5-2-16(13-23)3-6-18/h2-7,12H,8-11,14-15H2,1H3/p+1