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

Systemtic Name: 2-(4-aminophenyl)ethyl-[3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: 2-(4-aminophenyl)ethyl-[3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: 2-(4-aminophenyl)ethyl-[3-[5-(4-carboxyphenyl)-2-cyanophenoxy]-2-hydroxypropyl]-dimethylammonium IUPAC Name: 2-(4-aminophenyl)ethyl-[3-[5-(4-carboxyphenyl)-2-cyanophenoxy]-2-hydroxypropyl]-dimethylazanium Traditional Name: 2-(4-aminophenyl)ethyl-[3-[5-(4-carboxyphenyl)-2-cyano-phenoxy]-2-hydroxy-propyl]-dimethyl-ammonium Formula: C27H30N3O4+ MolecularWeight: 460.5448

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC=C(C=C1)N)CC(COC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)C#N)O

Isomeric SMILES

C[N+](C)(CCC1=CC=C(C=C1)N)CC(COC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)C#N)O

InChI

InChI=1S/C27H29N3O4/c1-30(2,14-13-19-3-11-24(29)12-4-19)17-25(31)18-34-26-15-22(9-10-23(26)16-28)20-5-7-21(8-6-20)27(32)33/h3-12,15,25,31H,13-14,17-18,29H2,1-2H3/p+1