N-[2-(1-methylazepan-1-ium-1-yl)ethoxy]-1-(1-methylpyridin-1-ium-4-yl)methanimine

Systemtic Name: N-[2-(1-methylazepan-1-ium-1-yl)ethoxy]-1-(1-methylpyridin-1-ium-4-yl)methanimine Openeye Name: N-[2-(1-methylazepan-1-ium-1-yl)ethoxy]-1-(1-methylpyridin-1-ium-4-yl)methanimine CAS Name: N-[2-(1-methyl-1-azepan-1-iumyl)ethoxy]-1-(1-methyl-4-pyridin-1-iumyl)methanimine IUPAC Name: N-[2-(1-methylazepan-1-ium-1-yl)ethoxy]-1-(1-methylpyridin-1-ium-4-yl)methanimine Traditional Name: (E)-2-(1-methylazepan-1-ium-1-yl)ethoxy-[(1-methylpyridin-1-ium-4-yl)methylene]amine Formula: C16H27N3O+2 MolecularWeight: 277.40508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=NOCC[N+]2(CCCCCC2)C

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=N/OCC[N+]2(CCCCCC2)C

InChI

InChI=1S/C16H27N3O/c1-18-9-7-16(8-10-18)15-17-20-14-13-19(2)11-5-3-4-6-12-19/h7-10,15H,3-6,11-14H2,1-2H3/q+2/b17-15+