(E)-3-[3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyphenyl]propoxy-phenyl-(pyridin-3-ylmethylidene)azanium

Systemtic Name: (E)-3-[3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyphenyl]propoxy-phenyl-(pyridin-3-ylmethylidene)azanium Openeye Name: (E)-3-[3-(2-hydroxy-1-methyl-2-oxo-ethoxy)phenyl]propoxy-phenyl-(3-pyridylmethylene)ammonium CAS Name: (E)-3-[3-(1-hydroxy-1-oxopropan-2-yl)oxyphenyl]propoxy-phenyl-(3-pyridinylmethylidene)ammonium IUPAC Name: (E)-3-[3-(1-hydroxy-1-oxopropan-2-yl)oxyphenyl]propoxy-phenyl-(pyridin-3-ylmethylidene)azanium Traditional Name: (E)-3-[3-(2-hydroxy-2-keto-1-methyl-ethoxy)phenyl]propoxy-phenyl-(3-pyridylmethylene)ammonium Formula: C24H25N2O4+ MolecularWeight: 405.4663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=CC(=C1)CCCO[N+](=CC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)OC1=CC=CC(=C1)CCCO/[N+](=C/C2=CN=CC=C2)/C3=CC=CC=C3

InChI

InChI=1S/C24H24N2O4/c1-19(24(27)28)30-23-13-5-8-20(16-23)10-7-15-29-26(22-11-3-2-4-12-22)18-21-9-6-14-25-17-21/h2-6,8-9,11-14,16-19H,7,10,15H2,1H3/p+1