2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]-6-fluoro-benzonitrile Formula: C21H25FN3O2+ MolecularWeight: 370.440503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N)OC)OC

InChI

InChI=1S/C21H24FN3O2/c1-15-11-20(26-2)21(27-3)12-16(15)14-24-7-9-25(10-8-24)19-6-4-5-18(22)17(19)13-23/h4-6,11-12H,7-10,14H2,1-3H3/p+1