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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=CC=N5

InChI

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