3-(naphthalen-2-ylmethoxy)-4-[1-oxidanidyl-6-(3-phenylpropyl)pyridin-1-ium-3-yl]piperidine-1-carboxylate

Systemtic Name: 3-(naphthalen-2-ylmethoxy)-4-[1-oxidanidyl-6-(3-phenylpropyl)pyridin-1-ium-3-yl]piperidine-1-carboxylate Openeye Name: 3-(2-naphthylmethoxy)-4-[1-oxido-6-(3-phenylpropyl)pyridin-1-ium-3-yl]piperidine-1-carboxylate CAS Name: 3-(2-naphthalenylmethoxy)-4-[1-oxido-6-(3-phenylpropyl)-3-pyridin-1-iumyl]-1-piperidinecarboxylate IUPAC Name: 3-(naphthalen-2-ylmethoxy)-4-[1-oxido-6-(3-phenylpropyl)pyridin-1-ium-3-yl]piperidine-1-carboxylate Traditional Name: 3-(2-naphthylmethoxy)-4-[1-oxido-6-(3-phenylpropyl)pyridin-1-ium-3-yl]piperidine-1-carboxylate Formula: C31H31N2O4- MolecularWeight: 495.58884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=C[N+](=C(C=C2)CCCC3=CC=CC=C3)[O-])OCC4=CC5=CC=CC=C5C=C4)C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1C2=C[N+](=C(C=C2)CCCC3=CC=CC=C3)[O-])OCC4=CC5=CC=CC=C5C=C4)C(=O)[O-]

InChI

InChI=1S/C31H32N2O4/c34-31(35)32-18-17-29(30(21-32)37-22-24-13-14-25-10-4-5-11-26(25)19-24)27-15-16-28(33(36)20-27)12-6-9-23-7-2-1-3-8-23/h1-5,7-8,10-11,13-16,19-20,29-30H,6,9,12,17-18,21-22H2,(H,34,35)/p-1