2-(4-formamido-3-methyl-1-pyridin-4-yl-piperazin-1-ium-1-yl)-2-phenoxy-ethanoic acid

Systemtic Name: 2-(4-formamido-3-methyl-1-pyridin-4-yl-piperazin-1-ium-1-yl)-2-phenoxy-ethanoic acid Openeye Name: 2-[4-formamido-3-methyl-1-(4-pyridyl)piperazin-1-ium-1-yl]-2-phenoxy-acetic acid CAS Name: 2-(4-formamido-3-methyl-1-pyridin-4-yl-1-piperazin-1-iumyl)-2-phenoxyacetic acid IUPAC Name: 2-(4-formamido-3-methyl-1-pyridin-4-ylpiperazin-1-ium-1-yl)-2-phenoxyacetic acid Traditional Name: 2-[4-formamido-3-methyl-1-(4-pyridyl)piperazin-1-ium-1-yl]-2-phenoxy-acetic acid Formula: C19H23N4O4+ MolecularWeight: 371.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](CCN1NC=O)(C2=CC=NC=C2)C(C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CC1C[N+](CCN1NC=O)(C2=CC=NC=C2)C(C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O4/c1-15-13-23(12-11-22(15)21-14-24,16-7-9-20-10-8-16)18(19(25)26)27-17-5-3-2-4-6-17/h2-10,14-15,18H,11-13H2,1H3,(H-,21,24,25,26)/p+1