1-[5-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]furan-2-yl]azepane

Systemtic Name: 1-[5-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]furan-2-yl]azepane Openeye Name: 1-[5-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]-2-furyl]azepane CAS Name: 1-[5-[(E)-2-(1-methyl-2-pyridin-1-iumyl)ethenyl]-2-furanyl]azepane IUPAC Name: 1-[5-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]furan-2-yl]azepane Traditional Name: 1-[5-[(E)-2-(1-methylpyridin-1-ium-2-yl)vinyl]-2-furyl]azepane Formula: C18H23N2O+ MolecularWeight: 283.38802

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC2=CC=C(O2)N3CCCCCC3

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/C2=CC=C(O2)N3CCCCCC3

InChI

InChI=1S/C18H23N2O/c1-19-13-7-4-8-16(19)9-10-17-11-12-18(21-17)20-14-5-2-3-6-15-20/h4,7-13H,2-3,5-6,14-15H2,1H3/q+1