3-ethyl-1-phenyl-4-[[4-(quinolin-2-ylmethoxy)phenyl]carbonylamino]pyridin-1-ium-2-carboxamide chloride

Systemtic Name: 3-ethyl-1-phenyl-4-[[4-(quinolin-2-ylmethoxy)phenyl]carbonylamino]pyridin-1-ium-2-carboxamide chloride Openeye Name: 3-ethyl-1-phenyl-4-[[4-(2-quinolylmethoxy)benzoyl]amino]pyridin-1-ium-2-carboxamide chloride CAS Name: 3-ethyl-4-[[oxo-[4-(2-quinolinylmethoxy)phenyl]methyl]amino]-1-phenyl-2-pyridin-1-iumcarboxamide chloride IUPAC Name: 3-ethyl-1-phenyl-4-[[4-(quinolin-2-ylmethoxy)benzoyl]amino]pyridin-1-ium-2-carboxamide chloride Traditional Name: 3-ethyl-1-phenyl-4-[[4-(2-quinolylmethoxy)benzoyl]amino]pyridin-1-ium-2-carboxamide chloride Formula: C31H27ClN4O3 MolecularWeight: 539.02408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C[N+](=C1C(=O)N)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4.[Cl-]

Isomeric SMILES

CCC1=C(C=C[N+](=C1C(=O)N)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4.[Cl-]

InChI

InChI=1S/C31H26N4O3.ClH/c1-2-26-28(18-19-35(29(26)30(32)36)24-9-4-3-5-10-24)34-31(37)22-13-16-25(17-14-22)38-20-23-15-12-21-8-6-7-11-27(21)33-23;/h3-19H,2,20H2,1H3,(H2,32,36);1H