1-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-4-methyl-piperazin-1-ium tetrafluoroborate

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-4-methyl-piperazin-1-ium tetrafluoroborate Openeye Name: 1-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-4-methyl-piperazin-1-ium tetrafluoroborate CAS Name: 1-[2-(3,4-dimethoxyphenyl)-1-benzopyran-4-ylidene]-4-methylpiperazin-1-ium tetrafluoroborate IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-4-methylpiperazin-1-ium tetrafluoroborate Traditional Name: 1-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-4-methyl-piperazin-1-ium tetrafluoroborate Formula: C22H25BF4N2O3 MolecularWeight: 452.250113

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CN1CC[N+](=C2C=C(OC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC)CC1

Isomeric SMILES

[B-](F)(F)(F)F.CN1CC[N+](=C2C=C(OC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC)CC1

InChI

InChI=1S/C22H25N2O3.BF4/c1-23-10-12-24(13-11-23)18-15-21(27-19-7-5-4-6-17(18)19)16-8-9-20(25-2)22(14-16)26-3;2-1(3,4)5/h4-9,14-15H,10-13H2,1-3H3;/q+1;-1