naphthalen-1-ylmethyl 4-piperidin-1-ylpyridin-1-ium-2-carboxylate

Systemtic Name: naphthalen-1-ylmethyl 4-piperidin-1-ylpyridin-1-ium-2-carboxylate Openeye Name: 1-naphthylmethyl 4-(1-piperidyl)pyridin-1-ium-2-carboxylate CAS Name: 4-(1-piperidinyl)-2-pyridin-1-iumcarboxylic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 4-piperidin-1-ylpyridin-1-ium-2-carboxylate Traditional Name: 4-piperidinopyridin-1-ium-2-carboxylic acid 1-naphthylmethyl ester Formula: C22H23N2O2+ MolecularWeight: 347.43022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=[NH+]C=C2)C(=O)OCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)C2=CC(=[NH+]C=C2)C(=O)OCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H22N2O2/c25-22(21-15-19(11-12-23-21)24-13-4-1-5-14-24)26-16-18-9-6-8-17-7-2-3-10-20(17)18/h2-3,6-12,15H,1,4-5,13-14,16H2/p+1