1-(5-methylfuran-2-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine

Systemtic Name: 1-(5-methylfuran-2-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-(5-methyl-2-furyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-(5-methyl-2-furanyl)-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-(5-methylfuran-2-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (E)-(5-methyl-2-furyl)methylene-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C15H19N4O+ MolecularWeight: 271.33756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=NN2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(O1)/C=N/N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C15H18N4O/c1-13-5-6-14(20-13)12-17-19-10-8-18(9-11-19)15-4-2-3-7-16-15/h2-7,12H,8-11H2,1H3/p+1/b17-12+