[3-[3-(2-carboxyethyl)-2-cyano-phenoxy]-2-oxidanyl-propyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium

Systemtic Name: [3-[3-(2-carboxyethyl)-2-cyano-phenoxy]-2-oxidanyl-propyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium Openeye Name: [3-[3-(2-carboxyethyl)-2-cyano-phenoxy]-2-hydroxy-propyl]-dimethyl-[2-(2-naphthyl)ethyl]ammonium CAS Name: [3-[3-(2-carboxyethyl)-2-cyanophenoxy]-2-hydroxypropyl]-dimethyl-[2-(2-naphthalenyl)ethyl]ammonium IUPAC Name: [3-[3-(2-carboxyethyl)-2-cyanophenoxy]-2-hydroxypropyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium Traditional Name: [3-[3-(2-carboxyethyl)-2-cyano-phenoxy]-2-hydroxy-propyl]-dimethyl-[2-(2-naphthyl)ethyl]ammonium Formula: C27H31N2O4+ MolecularWeight: 447.54604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4/c1-29(2,15-14-20-10-11-21-6-3-4-7-23(21)16-20)18-24(30)19-33-26-9-5-8-22(25(26)17-28)12-13-27(31)32/h3-11,16,24,30H,12-15,18-19H2,1-2H3/p+1