(phenylmethyl) 1-methoxy-4-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]piperidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 1-methoxy-4-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]piperidin-1-ium-1-carboxylate Openeye Name: benzyl 1-methoxy-4-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]piperidin-1-ium-1-carboxylate CAS Name: 1-methoxy-4-[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]-1-piperidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-methoxy-4-[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]piperidin-1-ium-1-carboxylate Traditional Name: 1-methoxy-4-[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]piperidin-1-ium-1-carboxylic acid benzyl ester Formula: C28H33N2O6+ MolecularWeight: 493.57142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC=CC(=C2)C3CC[N+](CC3)(C(=O)OCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC=CC(=C2)C3CC[N+](CC3)(C(=O)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C28H33N2O6/c1-32-25-17-23(18-26(33-2)27(25)34-3)24-16-22(10-13-29-24)21-11-14-30(35-4,15-12-21)28(31)36-19-20-8-6-5-7-9-20/h5-10,13,16-18,21H,11-12,14-15,19H2,1-4H3/q+1