sodium (1Z)-1-(1-cyano-1-ethyl-isoquinolin-2-yl)-3-methyl-buta-1,3-dien-1-olate

Systemtic Name: sodium (1Z)-1-(1-cyano-1-ethyl-isoquinolin-2-yl)-3-methyl-buta-1,3-dien-1-olate Openeye Name: sodium (1Z)-1-(1-cyano-1-ethyl-2-isoquinolyl)-3-methyl-buta-1,3-dien-1-olate CAS Name: sodium (1Z)-1-(1-cyano-1-ethyl-2-isoquinolinyl)-3-methyl-1-buta-1,3-dienolate IUPAC Name: sodium (1Z)-1-(1-cyano-1-ethylisoquinolin-2-yl)-3-methylbuta-1,3-dien-1-olate Traditional Name: sodium (1Z)-1-(1-cyano-1-ethyl-2-isoquinolyl)-3-methyl-buta-1,3-dien-1-olate Formula: C17H17N2NaO MolecularWeight: 288.31945

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC=CC=C2C=CN1C(=CC(=C)C)[O-])C#N.[Na+]

Isomeric SMILES

CCC1(C2=CC=CC=C2C=CN1/C(=C/C(=C)C)/[O-])C#N.[Na+]

InChI

InChI=1S/C17H18N2O.Na/c1-4-17(12-18)15-8-6-5-7-14(15)9-10-19(17)16(20)11-13(2)3;/h5-11,20H,2,4H2,1,3H3;/q;+1/p-1/b16-11-;