2-[5-[(E)-4-(methylamino)pent-1-enyl]-1-oxidanidyl-pyridin-1-ium-3-yl]oxyethanoic acid

Systemtic Name: 2-[5-[(E)-4-(methylamino)pent-1-enyl]-1-oxidanidyl-pyridin-1-ium-3-yl]oxyethanoic acid Openeye Name: 2-[5-[(E)-4-(methylamino)pent-1-enyl]-1-oxido-pyridin-1-ium-3-yl]oxyacetic acid CAS Name: 2-[[5-[(E)-4-(methylamino)pent-1-enyl]-1-oxido-3-pyridin-1-iumyl]oxy]acetic acid IUPAC Name: 2-[5-[(E)-4-(methylamino)pent-1-enyl]-1-oxidopyridin-1-ium-3-yl]oxyacetic acid Traditional Name: 2-[5-[(E)-4-(methylamino)pent-1-enyl]-1-oxido-pyridin-1-ium-3-yl]oxyacetic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CC1=CC(=C[N+](=C1)[O-])OCC(=O)O)NC

Isomeric SMILES

CC(C/C=C/C1=CC(=C[N+](=C1)[O-])OCC(=O)O)NC

InChI

InChI=1S/C13H18N2O4/c1-10(14-2)4-3-5-11-6-12(8-15(18)7-11)19-9-13(16)17/h3,5-8,10,14H,4,9H2,1-2H3,(H,16,17)/b5-3+