2-(3-butylisoquinolin-1-yl)oxyethyl-ethyl-methyl-naphthalen-1-yl-azanium

Systemtic Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-ethyl-methyl-naphthalen-1-yl-azanium Openeye Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-ethyl-methyl-(1-naphthyl)ammonium CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-ethyl-methyl-(1-naphthalenyl)ammonium IUPAC Name: 2-(3-butylisoquinolin-1-yl)oxyethyl-ethyl-methyl-naphthalen-1-ylazanium Traditional Name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl-ethyl-methyl-(1-naphthyl)ammonium Formula: C28H33N2O+ MolecularWeight: 413.57442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(CC)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCC[N+](C)(CC)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H33N2O/c1-4-6-15-24-21-23-13-8-10-17-26(23)28(29-24)31-20-19-30(3,5-2)27-18-11-14-22-12-7-9-16-25(22)27/h7-14,16-18,21H,4-6,15,19-20H2,1-3H3/q+1