1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)piperidin-1-ium-4-carboxylate Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO4/c1-25-20-13-17(14-22-11-9-18(10-12-22)21(23)24)7-8-19(20)26-15-16-5-3-2-4-6-16/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,24)