2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-(2-fluorophenyl)-1-piperazinyl]-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-(2-fluorophenyl)piperazino]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C18H20FN4+ MolecularWeight: 311.376603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)N2CCN(CC2)C3=CC=CC=C3F)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)N2CCN(CC2)C3=CC=CC=C3F)C

InChI

InChI=1S/C18H19FN4/c1-13-11-14(2)21-18(15(13)12-20)23-9-7-22(8-10-23)17-6-4-3-5-16(17)19/h3-6,11H,7-10H2,1-2H3/p+1