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

Systemtic Name: (6-chloranyl-2-pyridin-4-yl-quinolin-4-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: [6-chloro-2-(4-pyridyl)-4-quinolyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: (6-chloro-2-pyridin-4-yl-4-quinolinyl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (6-chloro-2-pyridin-4-ylquinolin-4-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: [6-chloro-2-(4-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=NC=C5

Isomeric SMILES

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

InChI

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