(E)-3-ethoxy-2-isoquinolin-2-ium-2-yl-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-3-ethoxy-2-isoquinolin-2-ium-2-yl-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-3-ethoxy-3-hydroxy-2-isoquinolin-2-ium-2-yl-prop-2-enenitrile CAS Name: (E)-3-ethoxy-3-hydroxy-2-(2-isoquinolin-2-iumyl)-2-propenenitrile IUPAC Name: (E)-3-ethoxy-3-hydroxy-2-isoquinolin-2-ium-2-ylprop-2-enenitrile Traditional Name: (E)-3-ethoxy-3-hydroxy-2-isoquinolin-2-ium-2-yl-acrylonitrile Formula: C14H13N2O2+ MolecularWeight: 241.26522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)[N+]1=CC2=CC=CC=C2C=C1)O

Isomeric SMILES

CCO/C(=C(\C#N)/[N+]1=CC2=CC=CC=C2C=C1)/O

InChI

InChI=1S/C14H12N2O2/c1-2-18-14(17)13(9-15)16-8-7-11-5-3-4-6-12(11)10-16/h3-8,10H,2H2,1H3/p+1/b14-13+