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

Systemtic Name: 2-(4-benzamidophenyl)ethyl-[3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: 2-(4-benzamidophenyl)ethyl-[3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: 2-(4-benzamidophenyl)ethyl-[3-[5-(4-carboxyphenyl)-2-cyanophenoxy]-2-hydroxypropyl]-dimethylammonium IUPAC Name: 2-(4-benzamidophenyl)ethyl-[3-[5-(4-carboxyphenyl)-2-cyanophenoxy]-2-hydroxypropyl]-dimethylazanium Traditional Name: 2-(4-benzamidophenyl)ethyl-[3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-hydroxy-propyl]-dimethyl-ammonium Formula: C34H34N3O5+ MolecularWeight: 564.65086

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)CC(COC3=C(C=CC(=C3)C4=CC=C(C=C4)C(=O)O)C#N)O

Isomeric SMILES

C[N+](C)(CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2)CC(COC3=C(C=CC(=C3)C4=CC=C(C=C4)C(=O)O)C#N)O

InChI

InChI=1S/C34H33N3O5/c1-37(2,19-18-24-8-16-30(17-9-24)36-33(39)26-6-4-3-5-7-26)22-31(38)23-42-32-20-28(14-15-29(32)21-35)25-10-12-27(13-11-25)34(40)41/h3-17,20,31,38H,18-19,22-23H2,1-2H3,(H-,36,39,40,41)/p+1