[4-[2-(2-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone

Systemtic Name: [4-[2-(2-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone Openeye Name: [4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-[2-(4-pyridyl)-4-quinolyl]methanone CAS Name: [4-[2-(2-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-(2-pyridin-4-yl-4-quinolinyl)methanone IUPAC Name: [4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone Traditional Name: [4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-[2-(4-pyridyl)-4-quinolyl]methanone Formula: C27H26ClN4O2+ MolecularWeight: 473.97394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2Cl)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2Cl)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C27H25ClN4O2/c28-23-6-2-4-8-26(23)34-18-17-31-13-15-32(16-14-31)27(33)22-19-25(20-9-11-29-12-10-20)30-24-7-3-1-5-21(22)24/h1-12,19H,13-18H2/p+1