[(2Z,4E)-5-cyano-5-isoquinolin-2-ium-2-yl-4-oxidanyl-penta-2,4-dien-2-yl] ethyl carbonate

Systemtic Name: [(2Z,4E)-5-cyano-5-isoquinolin-2-ium-2-yl-4-oxidanyl-penta-2,4-dien-2-yl] ethyl carbonate Openeye Name: [(1Z,3E)-4-cyano-3-hydroxy-4-isoquinolin-2-ium-2-yl-1-methyl-buta-1,3-dienyl] ethyl carbonate CAS Name: carbonic acid [(2Z,4E)-5-cyano-4-hydroxy-5-(2-isoquinolin-2-iumyl)penta-2,4-dien-2-yl] ethyl ester IUPAC Name: [(2Z,4E)-5-cyano-4-hydroxy-5-isoquinolin-2-ium-2-ylpenta-2,4-dien-2-yl] ethyl carbonate Traditional Name: carbonic acid [(1Z,3E)-4-cyano-3-hydroxy-4-isoquinolin-2-ium-2-yl-1-methyl-buta-1,3-dienyl] ethyl ester Formula: C18H17N2O4+ MolecularWeight: 325.33858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4/c1-3-23-18(22)24-13(2)10-17(21)16(11-19)20-9-8-14-6-4-5-7-15(14)12-20/h4-10,12H,3H2,1-2H3/p+1/b13-10-,17-16+