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

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

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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=CC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=CC=N5

InChI

InChI=1S/C28H25ClN4O/c29-22-11-12-25-23(19-22)24(20-27(31-25)26-10-4-5-13-30-26)28(34)33-17-15-32(16-18-33)14-6-9-21-7-2-1-3-8-21/h1-13,19-20H,14-18H2/p+1/b9-6+