4-(1-oxidanidyl-5-phenylmethoxy-pyridin-1-ium-2-yl)oxypiperidine-1-carboxylic acid

Systemtic Name: 4-(1-oxidanidyl-5-phenylmethoxy-pyridin-1-ium-2-yl)oxypiperidine-1-carboxylic acid Openeye Name: 4-(5-benzyloxy-1-oxido-pyridin-1-ium-2-yl)oxypiperidine-1-carboxylic acid CAS Name: 4-[(1-oxido-5-phenylmethoxy-2-pyridin-1-iumyl)oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-(1-oxido-5-phenylmethoxypyridin-1-ium-2-yl)oxypiperidine-1-carboxylic acid Traditional Name: 4-(5-benzoxy-1-oxido-pyridin-1-ium-2-yl)oxypiperidine-1-carboxylic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=[N+](C=C(C=C2)OCC3=CC=CC=C3)[O-])C(=O)O

Isomeric SMILES

C1CN(CCC1OC2=[N+](C=C(C=C2)OCC3=CC=CC=C3)[O-])C(=O)O

InChI

InChI=1S/C18H20N2O5/c21-18(22)19-10-8-15(9-11-19)25-17-7-6-16(12-20(17)23)24-13-14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,21,22)