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

Systemtic Name: 2-[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-(7-chloro-4-quinolin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C21H22Cl2N4O+2 MolecularWeight: 417.33158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C21H20Cl2N4O/c22-15-5-6-16-19(13-15)24-8-7-20(16)27-11-9-26(10-12-27)14-21(28)25-18-4-2-1-3-17(18)23/h1-8,13H,9-12,14H2,(H,25,28)/p+2