carboxymethyl-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-(pyridin-2-ylmethylidene)azanium

Systemtic Name: carboxymethyl-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-(pyridin-2-ylmethylidene)azanium Openeye Name: carboxymethyl-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-(2-pyridylmethylene)ammonium CAS Name: carboxymethyl-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-(2-pyridinylmethylidene)ammonium IUPAC Name: carboxymethyl-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-(pyridin-2-ylmethylidene)azanium Traditional Name: 2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl-(carboxymethyl)-(2-pyridylmethylene)ammonium Formula: C23H28N3O5+ MolecularWeight: 426.48552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)[N+](=CC2=CC=CC=N2)CC(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)[N+](=CC2=CC=CC=N2)CC(=O)O

InChI

InChI=1S/C23H27N3O5/c1-3-31-23(30)20(13-12-18-9-5-4-6-10-18)25-17(2)22(29)26(16-21(27)28)15-19-11-7-8-14-24-19/h4-11,14-15,17,20,25H,3,12-13,16H2,1-2H3/p+1