(Z)-5-[2-(carboxymethyloxy)phenyl]pentoxy-phenyl-(pyridin-3-ylmethylidene)azanium

Systemtic Name: (Z)-5-[2-(carboxymethyloxy)phenyl]pentoxy-phenyl-(pyridin-3-ylmethylidene)azanium Openeye Name: (Z)-5-[2-(carboxymethyloxy)phenyl]pentoxy-phenyl-(3-pyridylmethylene)ammonium CAS Name: (Z)-5-[2-(carboxymethyloxy)phenyl]pentoxy-phenyl-(3-pyridinylmethylidene)ammonium IUPAC Name: (Z)-5-[2-(carboxymethyloxy)phenyl]pentoxy-phenyl-(pyridin-3-ylmethylidene)azanium Traditional Name: (Z)-5-[2-(carboxymethyloxy)phenyl]pentoxy-phenyl-(3-pyridylmethylene)ammonium Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+](=CC2=CN=CC=C2)OCCCCCC3=CC=CC=C3OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/[N+](=C/C2=CN=CC=C2)/OCCCCCC3=CC=CC=C3OCC(=O)O

InChI

InChI=1S/C25H26N2O4/c28-25(29)20-30-24-15-7-6-12-22(24)11-3-2-8-17-31-27(23-13-4-1-5-14-23)19-21-10-9-16-26-18-21/h1,4-7,9-10,12-16,18-19H,2-3,8,11,17,20H2/p+1