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

Systemtic Name: [3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-oxidanyl-propyl]-dimethyl-(4-phenylbutyl)azanium Openeye Name: [3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-hydroxy-propyl]-dimethyl-(4-phenylbutyl)ammonium CAS Name: [3-[5-(4-carboxyphenyl)-2-cyanophenoxy]-2-hydroxypropyl]-dimethyl-(4-phenylbutyl)ammonium IUPAC Name: [3-[5-(4-carboxyphenyl)-2-cyanophenoxy]-2-hydroxypropyl]-dimethyl-(4-phenylbutyl)azanium Traditional Name: [3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-hydroxy-propyl]-dimethyl-(4-phenylbutyl)ammonium Formula: C29H33N2O4+ MolecularWeight: 473.58332

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCC1=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)(CCCCC1=CC=CC=C1)CC(COC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)C#N)O

InChI

InChI=1S/C29H32N2O4/c1-31(2,17-7-6-10-22-8-4-3-5-9-22)20-27(32)21-35-28-18-25(15-16-26(28)19-30)23-11-13-24(14-12-23)29(33)34/h3-5,8-9,11-16,18,27,32H,6-7,10,17,20-21H2,1-2H3/p+1