[3-[2-acetyloxyethanoyl(ethanoyl)amino]phenyl]-(carboxymethyl)-methyl-pyridin-3-yl-azanium

Systemtic Name: [3-[2-acetyloxyethanoyl(ethanoyl)amino]phenyl]-(carboxymethyl)-methyl-pyridin-3-yl-azanium Openeye Name: [3-[(2-acetoxyacetyl)-acetyl-amino]phenyl]-(carboxymethyl)-methyl-(3-pyridyl)ammonium CAS Name: [3-[acetyl-(2-acetyloxy-1-oxoethyl)amino]phenyl]-(carboxymethyl)-methyl-(3-pyridinyl)ammonium IUPAC Name: [3-[acetyl-(2-acetyloxyacetyl)amino]phenyl]-(carboxymethyl)-methyl-pyridin-3-ylazanium Traditional Name: [3-[(2-acetoxyacetyl)-acetyl-amino]phenyl]-(carboxymethyl)-methyl-(3-pyridyl)ammonium Formula: C20H22N3O6+ MolecularWeight: 400.40518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC(=CC=C1)[N+](C)(CC(=O)O)C2=CN=CC=C2)C(=O)COC(=O)C

Isomeric SMILES

CC(=O)N(C1=CC(=CC=C1)[N+](C)(CC(=O)O)C2=CN=CC=C2)C(=O)COC(=O)C

InChI

InChI=1S/C20H21N3O6/c1-14(24)22(19(26)13-29-15(2)25)16-6-4-7-17(10-16)23(3,12-20(27)28)18-8-5-9-21-11-18/h4-11H,12-13H2,1-3H3/p+1