ethyl (2S)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2S)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2S)-1-[(2,4-dimethoxy-3-methyl-phenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(2,4-dimethoxy-3-methyl-benzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C18H28NO4+ MolecularWeight: 322.41922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=C(C(=C(C=C2)OC)C)OC

Isomeric SMILES

CCOC(=O)[C@@H]1CCCC[NH+]1CC2=C(C(=C(C=C2)OC)C)OC

InChI

InChI=1S/C18H27NO4/c1-5-23-18(20)15-8-6-7-11-19(15)12-14-9-10-16(21-3)13(2)17(14)22-4/h9-10,15H,5-8,11-12H2,1-4H3/p+1/t15-/m0/s1