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

Systemtic Name: 3-ethyl-1-phenyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]carbonylamino]pyridin-1-ium-2-carboxamide iodide Openeye Name: 3-ethyl-1-phenyl-4-[[3-(2-quinolylmethoxy)benzoyl]amino]pyridin-1-ium-2-carboxamide iodide CAS Name: 3-ethyl-4-[[oxo-[3-(2-quinolinylmethoxy)phenyl]methyl]amino]-1-phenyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: 3-ethyl-1-phenyl-4-[[3-(quinolin-2-ylmethoxy)benzoyl]amino]pyridin-1-ium-2-carboxamide iodide Traditional Name: 3-ethyl-1-phenyl-4-[[3-(2-quinolylmethoxy)benzoyl]amino]pyridin-1-ium-2-carboxamide iodide Formula: C31H27IN4O3 MolecularWeight: 630.47555

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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(=CC=C3)OCC4=NC5=CC=CC=C5C=C4.[I-]

Isomeric SMILES

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

InChI

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