3-(naphthalen-2-ylmethoxy)-4-[1-oxidanidyl-6-(3-phenylmethoxypropyl)pyridin-1-ium-3-yl]piperidine-1-carboxylic acid

Systemtic Name: 3-(naphthalen-2-ylmethoxy)-4-[1-oxidanidyl-6-(3-phenylmethoxypropyl)pyridin-1-ium-3-yl]piperidine-1-carboxylic acid Openeye Name: 4-[6-(3-benzyloxypropyl)-1-oxido-pyridin-1-ium-3-yl]-3-(2-naphthylmethoxy)piperidine-1-carboxylic acid CAS Name: 3-(2-naphthalenylmethoxy)-4-[1-oxido-6-(3-phenylmethoxypropyl)-3-pyridin-1-iumyl]-1-piperidinecarboxylic acid IUPAC Name: 3-(naphthalen-2-ylmethoxy)-4-[1-oxido-6-(3-phenylmethoxypropyl)pyridin-1-ium-3-yl]piperidine-1-carboxylic acid Traditional Name: 4-[6-(3-benzoxypropyl)-1-oxido-pyridin-1-ium-3-yl]-3-(2-naphthylmethoxy)piperidine-1-carboxylic acid Formula: C32H34N2O5 MolecularWeight: 526.62276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=C[N+](=C(C=C2)CCCOCC3=CC=CC=C3)[O-])OCC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=C[N+](=C(C=C2)CCCOCC3=CC=CC=C3)[O-])OCC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C32H34N2O5/c35-32(36)33-17-16-30(31(21-33)39-23-25-12-13-26-9-4-5-10-27(26)19-25)28-14-15-29(34(37)20-28)11-6-18-38-22-24-7-2-1-3-8-24/h1-5,7-10,12-15,19-20,30-31H,6,11,16-18,21-23H2,(H,35,36)