4-[(E)-3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-3-keto-prop-1-enyl]benzonitrile Formula: C22H23FN3O2+ MolecularWeight: 380.435323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)C#N)F

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O2/c1-28-21-8-6-19(14-20(21)23)16-25-10-12-26(13-11-25)22(27)9-7-17-2-4-18(15-24)5-3-17/h2-9,14H,10-13,16H2,1H3/p+1/b9-7+