1-[4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]azepane

Systemtic Name: 1-[4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]azepane Openeye Name: 1-[4-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]phenyl]azepane CAS Name: 1-[4-[(E)-2-(1-methyl-2-pyridin-1-iumyl)ethenyl]phenyl]azepane IUPAC Name: 1-[4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenyl]azepane Traditional Name: 1-[4-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]phenyl]azepane Formula: C20H25N2+ MolecularWeight: 293.4259

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C20H25N2/c1-21-15-7-4-8-19(21)12-9-18-10-13-20(14-11-18)22-16-5-2-3-6-17-22/h4,7-15H,2-3,5-6,16-17H2,1H3/q+1