(E)-1-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]but-2-en-1-one

Systemtic Name: (E)-1-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]but-2-en-1-one Openeye Name: (E)-1-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]but-2-en-1-one CAS Name: (E)-1-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-2-buten-1-one IUPAC Name: (E)-1-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]but-2-en-1-one Traditional Name: (E)-1-[4-(7-chloroquinolin-1-ium-4-yl)piperazino]but-2-en-1-one Formula: C17H19ClN3O+ MolecularWeight: 316.80526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1CCN(CC1)C2=C3C=CC(=CC3=[NH+]C=C2)Cl

Isomeric SMILES

C/C=C/C(=O)N1CCN(CC1)C2=C3C=CC(=CC3=[NH+]C=C2)Cl

InChI

InChI=1S/C17H18ClN3O/c1-2-3-17(22)21-10-8-20(9-11-21)16-6-7-19-15-12-13(18)4-5-14(15)16/h2-7,12H,8-11H2,1H3/p+1/b3-2+