tributyl-[1-[(1-cyano-1H-isoquinolin-2-yl)oxy]-1-phenyl-pentyl]azanium

Systemtic Name: tributyl-[1-[(1-cyano-1H-isoquinolin-2-yl)oxy]-1-phenyl-pentyl]azanium Openeye Name: tributyl-[1-[(1-cyano-1H-isoquinolin-2-yl)oxy]-1-phenyl-pentyl]ammonium CAS Name: tributyl-[1-[(1-cyano-1H-isoquinolin-2-yl)oxy]-1-phenylpentyl]ammonium IUPAC Name: tributyl-[1-[(1-cyano-1H-isoquinolin-2-yl)oxy]-1-phenylpentyl]azanium Traditional Name: tributyl-[1-[(1-cyano-1H-isoquinolin-2-yl)oxy]-1-phenyl-pentyl]ammonium Formula: C33H48N3O+ MolecularWeight: 502.75372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1)([N+](CCCC)(CCCC)CCCC)ON2C=CC3=CC=CC=C3C2C#N

Isomeric SMILES

CCCCC(C1=CC=CC=C1)([N+](CCCC)(CCCC)CCCC)ON2C=CC3=CC=CC=C3C2C#N

InChI

InChI=1S/C33H48N3O/c1-5-9-23-33(30-19-14-13-15-20-30,36(25-10-6-2,26-11-7-3)27-12-8-4)37-35-24-22-29-18-16-17-21-31(29)32(35)28-34/h13-22,24,32H,5-12,23,25-27H2,1-4H3/q+1