N-[3-[(7-chloranylquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-pyridin-1-ium-1-yl-ethanamide

Systemtic Name: N-[3-[(7-chloranylquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-pyridin-1-ium-1-yl-ethanamide Openeye Name: N-[3-[(7-chloro-4-quinolyl)amino]-5-(hydroxymethyl)phenyl]-2-pyridin-1-ium-1-yl-acetamide CAS Name: N-[3-[(7-chloro-4-quinolinyl)amino]-5-(hydroxymethyl)phenyl]-2-(1-pyridin-1-iumyl)acetamide IUPAC Name: N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]-2-pyridin-1-ium-1-ylacetamide Traditional Name: N-[3-[(7-chloro-4-quinolyl)amino]-5-methylol-phenyl]-2-pyridin-1-ium-1-yl-acetamide Formula: C23H20ClN4O2+ MolecularWeight: 419.8835

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)NC2=CC(=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)CO

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)NC2=CC(=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)CO

InChI

InChI=1S/C23H19ClN4O2/c24-17-4-5-20-21(6-7-25-22(20)12-17)26-18-10-16(15-29)11-19(13-18)27-23(30)14-28-8-2-1-3-9-28/h1-13,29H,14-15H2,(H-,25,26,27,30)/p+1