2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-quinolin-5-yl-ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-quinolin-5-ylacetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(5-quinolyl)acetamide Formula: C21H22ClN4O+ MolecularWeight: 381.87858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=C2C=CC=N3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=C2C=CC=N3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4O/c22-16-4-1-5-17(14-16)26-12-10-25(11-13-26)15-21(27)24-20-8-2-7-19-18(20)6-3-9-23-19/h1-9,14H,10-13,15H2,(H,24,27)/p+1