(E)-1-[4-(6-chloranylpyridin-1-ium-2-yl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(6-chloranylpyridin-1-ium-2-yl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-(6-chloropyridin-1-ium-2-yl)piperazin-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-(6-chloro-2-pyridin-1-iumyl)-1-piperazinyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-(6-chloropyridin-1-ium-2-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-(6-chloropyridin-1-ium-2-yl)piperazino]-3-phenyl-prop-2-en-1-one Formula: C18H19ClN3O+ MolecularWeight: 328.81596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C(=CC=C2)Cl)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C(=CC=C2)Cl)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H18ClN3O/c19-16-7-4-8-17(20-16)21-11-13-22(14-12-21)18(23)10-9-15-5-2-1-3-6-15/h1-10H,11-14H2/p+1/b10-9+