dibutyl-pentyl-(2-prop-2-enylisoquinolin-2-ium-4-yl)boranuide

Systemtic Name: dibutyl-pentyl-(2-prop-2-enylisoquinolin-2-ium-4-yl)boranuide Openeye Name: (2-allylisoquinolin-2-ium-4-yl)-dibutyl-pentyl-boranuide CAS Name: dibutyl-pentyl-(2-prop-2-enyl-4-isoquinolin-2-iumyl)boranuide IUPAC Name: dibutyl-pentyl-(2-prop-2-enylisoquinolin-2-ium-4-yl)boranuide Traditional Name: (2-allylisoquinolin-2-ium-4-yl)-amyl-dibutyl-boranuide Formula: C25H40BN MolecularWeight: 365.4028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](CCCC)(CCCC)(CCCCC)C1=C[N+](=CC2=CC=CC=C12)CC=C

Isomeric SMILES

[B-](CCCC)(CCCC)(CCCCC)C1=C[N+](=CC2=CC=CC=C12)CC=C

InChI

InChI=1S/C25H40BN/c1-5-9-14-19-26(17-10-6-2,18-11-7-3)25-22-27(20-8-4)21-23-15-12-13-16-24(23)25/h8,12-13,15-16,21-22H,4-7,9-11,14,17-20H2,1-3H3