ethyl 1-[(2,4-dimethyl-6-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2,4-dimethyl-6-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-hydroxy-4,6-dimethyl-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-hydroxy-4,6-dimethylphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-hydroxy-4,6-dimethylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-hydroxy-4,6-dimethyl-benzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(C=C(C=C2O)C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(C=C(C=C2O)C)C

InChI

InChI=1S/C17H25NO3/c1-4-21-17(20)14-5-7-18(8-6-14)11-15-13(3)9-12(2)10-16(15)19/h9-10,14,19H,4-8,11H2,1-3H3/p+1