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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)[N+](=CC2=CC=NC=C2)CC(=O)O

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)[N+](=CC2=CC=NC=C2)CC(=O)O

InChI

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