2-(3-butylisoquinolin-1-yl)oxyethyl-dimethyl-azanium; 3,6-dimethylidenecyclohexa-1,4-diene

Systemtic Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-dimethyl-azanium; 3,6-dimethylidenecyclohexa-1,4-diene Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-dimethyl-ammonium; 3,6-dimethylenecyclohexa-1,4-diene CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-dimethylammonium; 3,6-dimethylenecyclohexa-1,4-diene IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-dimethylazanium; 3,6-dimethylidenecyclohexa-1,4-diene Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-dimethyl-ammonium; 3,6-dimethylenecyclohexa-1,4-diene Formula: C42H58N4O2+2 MolecularWeight: 650.93552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[NH+](C)C.CCCCC1=CC2=CC=CC=C2C(=N1)OCC[NH+](C)C.C=C1C=CC(=C)C=C1

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[NH+](C)C.CCCCC1=CC2=CC=CC=C2C(=N1)OCC[NH+](C)C.C=C1C=CC(=C)C=C1

InChI

InChI=1S/2C17H24N2O.C8H8/c2*1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3;1-7-3-5-8(2)6-4-7/h2*6-8,10,13H,4-5,9,11-12H2,1-3H3;3-6H,1-2H2/p+2