(E)-3-ethoxy-3-oxidanyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)prop-2-enenitrile

Systemtic Name: (E)-3-ethoxy-3-oxidanyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)prop-2-enenitrile Openeye Name: (E)-3-ethoxy-3-hydroxy-2-(2,4,6-triphenylpyridin-1-ium-1-yl)prop-2-enenitrile CAS Name: (E)-3-ethoxy-3-hydroxy-2-(2,4,6-triphenyl-1-pyridin-1-iumyl)-2-propenenitrile IUPAC Name: (E)-3-ethoxy-3-hydroxy-2-(2,4,6-triphenylpyridin-1-ium-1-yl)prop-2-enenitrile Traditional Name: (E)-3-ethoxy-3-hydroxy-2-(2,4,6-triphenylpyridin-1-ium-1-yl)acrylonitrile Formula: C28H23N2O2+ MolecularWeight: 419.49442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCO/C(=C(\C#N)/[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)/O

InChI

InChI=1S/C28H22N2O2/c1-2-32-28(31)27(20-29)30-25(22-14-8-4-9-15-22)18-24(21-12-6-3-7-13-21)19-26(30)23-16-10-5-11-17-23/h3-19H,2H2,1H3/p+1/b28-27+