4-fluoranyl-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-fluoro-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-fluoro-3-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-fluoro-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-fluoro-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H21FN3O+ MolecularWeight: 326.387943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C19H20FN3O/c1-24-18-4-2-3-17(12-18)23-9-7-22(8-10-23)14-16-11-15(13-21)5-6-19(16)20/h2-6,11-12H,7-10,14H2,1H3/p+1