[3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-oxidanyl-propyl]-dimethyl-(2-phenylmethoxyethyl)azanium

Systemtic Name: [3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-oxidanyl-propyl]-dimethyl-(2-phenylmethoxyethyl)azanium Openeye Name: 2-benzyloxyethyl-[3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: [3-[5-(4-carboxyphenyl)-2-cyanophenoxy]-2-hydroxypropyl]-dimethyl-(2-phenylmethoxyethyl)ammonium IUPAC Name: [3-[5-(4-carboxyphenyl)-2-cyanophenoxy]-2-hydroxypropyl]-dimethyl-(2-phenylmethoxyethyl)azanium Traditional Name: 2-benzoxyethyl-[3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-hydroxy-propyl]-dimethyl-ammonium Formula: C28H31N2O5+ MolecularWeight: 475.55614

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOCC1=CC=CC=C1)CC(COC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)C#N)O

Isomeric SMILES

C[N+](C)(CCOCC1=CC=CC=C1)CC(COC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)C#N)O

InChI

InChI=1S/C28H30N2O5/c1-30(2,14-15-34-19-21-6-4-3-5-7-21)18-26(31)20-35-27-16-24(12-13-25(27)17-29)22-8-10-23(11-9-22)28(32)33/h3-13,16,26,31H,14-15,18-20H2,1-2H3/p+1