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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-3-methyl-piperidin-1-ium tetrafluoroborate Openeye Name: 1-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-3-methyl-piperidin-1-ium tetrafluoroborate CAS Name: 1-[2-(3,4-dimethoxyphenyl)-1-benzopyran-4-ylidene]-3-methylpiperidin-1-ium tetrafluoroborate IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-3-methylpiperidin-1-ium tetrafluoroborate Traditional Name: 1-[2-(3,4-dimethoxyphenyl)chromen-4-ylidene]-3-methyl-piperidin-1-ium tetrafluoroborate Formula: C23H26BF4NO3 MolecularWeight: 451.262053

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1CCC[N+](=C2C=C(OC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC)C1

Isomeric SMILES

[B-](F)(F)(F)F.CC1CCC[N+](=C2C=C(OC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC)C1

InChI

InChI=1S/C23H26NO3.BF4/c1-16-7-6-12-24(15-16)19-14-22(27-20-9-5-4-8-18(19)20)17-10-11-21(25-2)23(13-17)26-3;2-1(3,4)5/h4-5,8-11,13-14,16H,6-7,12,15H2,1-3H3;/q+1;-1