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

Systemtic Name: 3-(1-acetamidoethyl)-1-phenyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-1-ium-2-carboxamide iodide Openeye Name: 3-(1-acetamidoethyl)-1-phenyl-4-[4-(2-quinolylmethoxy)phenyl]pyridin-1-ium-2-carboxamide iodide CAS Name: 3-(1-acetamidoethyl)-1-phenyl-4-[4-(2-quinolinylmethoxy)phenyl]-2-pyridin-1-iumcarboxamide iodide IUPAC Name: 3-(1-acetamidoethyl)-1-phenyl-4-[4-(quinolin-2-ylmethoxy)phenyl]pyridin-1-ium-2-carboxamide iodide Traditional Name: 3-(1-acetamidoethyl)-1-phenyl-4-[4-(2-quinolylmethoxy)phenyl]pyridin-1-ium-2-carboxamide iodide Formula: C32H29IN4O3 MolecularWeight: 644.50213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C[N+](=C1C(=O)N)C2=CC=CC=C2)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)NC(=O)C.[I-]

Isomeric SMILES

CC(C1=C(C=C[N+](=C1C(=O)N)C2=CC=CC=C2)C3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4)NC(=O)C.[I-]

InChI

InChI=1S/C32H28N4O3.HI/c1-21(34-22(2)37)30-28(18-19-36(31(30)32(33)38)26-9-4-3-5-10-26)23-13-16-27(17-14-23)39-20-25-15-12-24-8-6-7-11-29(24)35-25;/h3-19,21H,20H2,1-2H3,(H2-,33,34,37,38);1H