N-[(E)-2-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide

Systemtic Name: N-[(E)-2-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide Openeye Name: N-[(E)-2-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide iodide CAS Name: N-[(E)-2-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide IUPAC Name: N-[(E)-2-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide Traditional Name: N-[(E)-2-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide iodide Formula: C25H23IN2O2 MolecularWeight: 510.36679

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)C=CN(C4=CC=CC=C4)C(=O)C.[I-]

Isomeric SMILES

CC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)/C=C/N(C4=CC=CC=C4)C(=O)C.[I-]

InChI

InChI=1S/C25H23N2O2.HI/c1-3-26-23-18-21(20-10-6-4-7-11-20)14-15-24(23)29-25(26)16-17-27(19(2)28)22-12-8-5-9-13-22;/h4-18H,3H2,1-2H3;1H/q+1;/p-1