2,5-bis(2-cyclopentylethynyl)-1-methyl-pyridin-1-ium

Systemtic Name: 2,5-bis(2-cyclopentylethynyl)-1-methyl-pyridin-1-ium Openeye Name: 2,5-bis(2-cyclopentylethynyl)-1-methyl-pyridin-1-ium CAS Name: 2,5-bis(2-cyclopentylethynyl)-1-methylpyridin-1-ium IUPAC Name: 2,5-bis(2-cyclopentylethynyl)-1-methylpyridin-1-ium Traditional Name: 2,5-bis(2-cyclopentylethynyl)-1-methyl-pyridin-1-ium Formula: C20H14N+ MolecularWeight: 268.33186

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC(=C1)C#C[C]2[CH][CH][CH][CH]2)C#C[C]3[CH][CH][CH][CH]3

Isomeric SMILES

C[N+]1=C(C=CC(=C1)C#C[C]2[CH][CH][CH][CH]2)C#C[C]3[CH][CH][CH][CH]3

InChI

InChI=1S/C20H14N/c1-21-16-19(11-10-17-6-2-3-7-17)13-15-20(21)14-12-18-8-4-5-9-18/h2-9,13,15-16H,1H3/q+1