carboxymethyl-ethanoyl-[4-[methyl(pyridin-3-yl)amino]phenyl]-oxidanyl-azanium

Systemtic Name: carboxymethyl-ethanoyl-[4-[methyl(pyridin-3-yl)amino]phenyl]-oxidanyl-azanium Openeye Name: acetyl-(carboxymethyl)-hydroxy-[4-[methyl(3-pyridyl)amino]phenyl]ammonium CAS Name: acetyl-(carboxymethyl)-hydroxy-[4-[methyl(3-pyridinyl)amino]phenyl]ammonium IUPAC Name: acetyl-(carboxymethyl)-hydroxy-[4-[methyl(pyridin-3-yl)amino]phenyl]azanium Traditional Name: acetyl-(carboxymethyl)-hydroxy-[4-[methyl(3-pyridyl)amino]phenyl]ammonium Formula: C16H18N3O4+ MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4/c1-12(20)19(23,11-16(21)22)15-7-5-13(6-8-15)18(2)14-4-3-9-17-10-14/h3-10,23H,11H2,1-2H3/p+1