N-[6-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)hexa-1,3,5-trienyl]-N-phenyl-ethanamide iodide

Systemtic Name: N-[6-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)hexa-1,3,5-trienyl]-N-phenyl-ethanamide iodide Openeye Name: N-[6-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)hexa-1,3,5-trienyl]-N-phenyl-acetamide iodide CAS Name: N-[6-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)hexa-1,3,5-trienyl]-N-phenylacetamide iodide IUPAC Name: N-[6-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)hexa-1,3,5-trienyl]-N-phenylacetamide iodide Traditional Name: N-[6-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)hexa-1,3,5-trienyl]-N-phenyl-acetamide iodide Formula: C23H23IN2O2 MolecularWeight: 486.34539

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=CC=CC=C21)C=CC=CC=CN(C3=CC=CC=C3)C(=O)C.[I-]

Isomeric SMILES

CC[N+]1=C(OC2=CC=CC=C21)C=CC=CC=CN(C3=CC=CC=C3)C(=O)C.[I-]

InChI

InChI=1S/C23H23N2O2.HI/c1-3-24-21-15-10-11-16-22(21)27-23(24)17-9-4-5-12-18-25(19(2)26)20-13-7-6-8-14-20;/h4-18H,3H2,1-2H3;1H/q+1;/p-1