(E)-3-(2-azanylpyridin-1-ium-1-yl)-1-(4-chlorophenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(2-azanylpyridin-1-ium-1-yl)-1-(4-chlorophenyl)prop-2-en-1-one Openeye Name: (E)-3-(2-aminopyridin-1-ium-1-yl)-1-(4-chlorophenyl)prop-2-en-1-one CAS Name: (E)-3-(2-amino-1-pyridin-1-iumyl)-1-(4-chlorophenyl)-2-propen-1-one IUPAC Name: (E)-3-(2-aminopyridin-1-ium-1-yl)-1-(4-chlorophenyl)prop-2-en-1-one Traditional Name: (E)-3-(2-aminopyridin-1-ium-1-yl)-1-(4-chlorophenyl)prop-2-en-1-one Formula: C14H12ClN2O+ MolecularWeight: 259.71088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)N)C=CC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=[N+](C(=C1)N)/C=C/C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H11ClN2O/c15-12-6-4-11(5-7-12)13(18)8-10-17-9-2-1-3-14(17)16/h1-10,16H/p+1/b10-8+