[3-[2-cyano-5-(4-oxidanyl-4-oxidanylidene-butyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium

Systemtic Name: [3-[2-cyano-5-(4-oxidanyl-4-oxidanylidene-butyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium Openeye Name: [3-[2-cyano-5-(4-hydroxy-4-oxo-butyl)phenoxy]-2-hydroxy-propyl]-dimethyl-[2-(2-naphthyl)ethyl]ammonium CAS Name: [3-[2-cyano-5-(4-hydroxy-4-oxobutyl)phenoxy]-2-hydroxypropyl]-dimethyl-[2-(2-naphthalenyl)ethyl]ammonium IUPAC Name: [3-[2-cyano-5-(4-hydroxy-4-oxobutyl)phenoxy]-2-hydroxypropyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium Traditional Name: [3-[2-cyano-5-(4-hydroxy-4-keto-butyl)phenoxy]-2-hydroxy-propyl]-dimethyl-[2-(2-naphthyl)ethyl]ammonium Formula: C28H33N2O4+ MolecularWeight: 461.57262

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC2=CC=CC=C2C=C1)CC(COC3=C(C=CC(=C3)CCCC(=O)O)C#N)O

Isomeric SMILES

C[N+](C)(CCC1=CC2=CC=CC=C2C=C1)CC(COC3=C(C=CC(=C3)CCCC(=O)O)C#N)O

InChI

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