(6-chloranyl-2-pyridin-3-yl-quinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (6-chloranyl-2-pyridin-3-yl-quinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [6-chloro-2-(3-pyridyl)-4-quinolyl]-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone CAS Name: [6-chloro-2-(3-pyridinyl)-4-quinolinyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (6-chloro-2-pyridin-3-ylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [6-chloro-2-(3-pyridyl)-4-quinolyl]-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone Formula: C28H26ClN4O+ MolecularWeight: 469.98524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CN=CC=C5

InChI

InChI=1S/C28H25ClN4O/c29-23-10-11-26-24(18-23)25(19-27(31-26)22-9-4-12-30-20-22)28(34)33-16-14-32(15-17-33)13-5-8-21-6-2-1-3-7-21/h1-12,18-20H,13-17H2/p+1/b8-5+