(2-hydroxyphenyl)-(phenylcarbonyl)-[(pyridin-3-ylmethoxycarbonylamino)methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (2-hydroxyphenyl)-(phenylcarbonyl)-[(pyridin-3-ylmethoxycarbonylamino)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: benzoyl-(2-hydroxyphenyl)-[(3-pyridylmethoxycarbonylamino)methyl]-(3-pyridylmethyl)ammonium CAS Name: benzoyl-(2-hydroxyphenyl)-[[[oxo(3-pyridinylmethoxy)methyl]amino]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: benzoyl-(2-hydroxyphenyl)-[(pyridin-3-ylmethoxycarbonylamino)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: benzoyl-(2-hydroxyphenyl)-[(3-pyridylmethoxycarbonylamino)methyl]-(3-pyridylmethyl)ammonium Formula: C27H25N4O4+ MolecularWeight: 469.5118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)[N+](CC2=CN=CC=C2)(CNC(=O)OCC3=CN=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[N+](CC2=CN=CC=C2)(CNC(=O)OCC3=CN=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C27H24N4O4/c32-25-13-5-4-12-24(25)31(18-21-8-6-14-28-16-21,26(33)23-10-2-1-3-11-23)20-30-27(34)35-19-22-9-7-15-29-17-22/h1-17H,18-20H2,(H-,30,32,34)/p+1