(6-chloranyl-2-pyridin-3-yl-quinolin-4-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (6-chloranyl-2-pyridin-3-yl-quinolin-4-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: [6-chloro-2-(3-pyridyl)-4-quinolyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: [6-chloro-2-(3-pyridinyl)-4-quinolinyl]-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (6-chloro-2-pyridin-3-ylquinolin-4-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: [6-chloro-2-(3-pyridyl)-4-quinolyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C27H26ClN4O+ MolecularWeight: 457.97454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CN=CC=C5

InChI

InChI=1S/C27H25ClN4O/c28-22-8-9-25-23(17-22)24(18-26(30-25)21-7-4-11-29-19-21)27(33)32-15-13-31(14-16-32)12-10-20-5-2-1-3-6-20/h1-9,11,17-19H,10,12-16H2/p+1