2-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C21H22ClFN4O+2 MolecularWeight: 400.876983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)F)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C21H20ClFN4O/c22-15-4-5-18-19(12-15)24-7-6-20(18)27-10-8-26(9-11-27)14-21(28)25-17-3-1-2-16(23)13-17/h1-7,12-13H,8-11,14H2,(H,25,28)/p+2