butane; 2-(1-cyanoisoquinolin-7-yl)ethoxy-oxidanidyl-oxidanylidene-phosphanium

Systemtic Name: butane; 2-(1-cyanoisoquinolin-7-yl)ethoxy-oxidanidyl-oxidanylidene-phosphanium Openeye Name: butane; 2-(1-cyano-7-isoquinolyl)ethoxy-oxido-oxo-phosphonium CAS Name: butane; 2-(1-cyano-7-isoquinolinyl)ethoxy-oxido-oxophosphonium IUPAC Name: butane; 2-(1-cyanoisoquinolin-7-yl)ethoxy-oxido-oxophosphanium Traditional Name: 2-(1-cyano-7-isoquinolyl)ethoxy-keto-oxido-phosphonium; n-butane Formula: C16H19N2O3P MolecularWeight: 318.307421

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC(=CC2=C1C=CN=C2C#N)CCO[P+](=O)[O-]

Isomeric SMILES

CCCC.C1=CC(=CC2=C1C=CN=C2C#N)CCO[P+](=O)[O-]

InChI

InChI=1S/C12H9N2O3P.C4H10/c13-8-12-11-7-9(4-6-17-18(15)16)1-2-10(11)3-5-14-12;1-3-4-2/h1-3,5,7H,4,6H2;3-4H2,1-2H3