1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-methoxy-2,5-dimethyl-benzyl)piperidin-1-ium-4-carboxylate Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCC(CC2)C(=O)[O-])C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCC(CC2)C(=O)[O-])C)OC

InChI

InChI=1S/C16H23NO3/c1-11-9-15(20-3)12(2)8-14(11)10-17-6-4-13(5-7-17)16(18)19/h8-9,13H,4-7,10H2,1-3H3,(H,18,19)