2-(3-butylisoquinolin-1-yl)oxyethyl-dimethyl-azanium; 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile

Systemtic Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-dimethyl-azanium; 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-dimethyl-ammonium; 2-[4-(dicyanomethylene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-dimethylammonium; 2-[4-(dicyanomethylidene)-1-cyclohexa-2,5-dienylidene]propanedinitrile IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-dimethylazanium; 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-dimethyl-ammonium; 2-[4-(dicyanomethylene)cyclohexa-2,5-dien-1-ylidene]malononitrile Formula: C29H29N6O+ MolecularWeight: 477.58016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[NH+](C)C.C1=CC(=C(C#N)C#N)C=CC1=C(C#N)C#N

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[NH+](C)C.C1=CC(=C(C#N)C#N)C=CC1=C(C#N)C#N

InChI

InChI=1S/C17H24N2O.C12H4N4/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3;13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h6-8,10,13H,4-5,9,11-12H2,1-3H3;1-4H/p+1