[3-[2-cyano-3-(4-oxidanyl-4-oxidanylidene-butyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium

Systemtic Name: [3-[2-cyano-3-(4-oxidanyl-4-oxidanylidene-butyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium Openeye Name: [3-[2-cyano-3-(4-hydroxy-4-oxo-butyl)phenoxy]-2-hydroxy-propyl]-dimethyl-[2-(2-naphthyl)ethyl]ammonium CAS Name: [3-[2-cyano-3-(4-hydroxy-4-oxobutyl)phenoxy]-2-hydroxypropyl]-dimethyl-[2-(2-naphthalenyl)ethyl]ammonium IUPAC Name: [3-[2-cyano-3-(4-hydroxy-4-oxobutyl)phenoxy]-2-hydroxypropyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium Traditional Name: [3-[2-cyano-3-(4-hydroxy-4-keto-butyl)phenoxy]-2-hydroxy-propyl]-dimethyl-[2-(2-naphthyl)ethyl]ammonium Formula: C28H33N2O4+ MolecularWeight: 461.57262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC2=CC=CC=C2C=C1)CC(COC3=CC=CC(=C3C#N)CCCC(=O)O)O

Isomeric SMILES

C[N+](C)(CCC1=CC2=CC=CC=C2C=C1)CC(COC3=CC=CC(=C3C#N)CCCC(=O)O)O

InChI

InChI=1S/C28H32N2O4/c1-30(2,16-15-21-13-14-22-7-3-4-8-24(22)17-21)19-25(31)20-34-27-11-5-9-23(26(27)18-29)10-6-12-28(32)33/h3-5,7-9,11,13-14,17,25,31H,6,10,12,15-16,19-20H2,1-2H3/p+1