ethyl (3S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(4-methoxy-2,5-dimethyl-benzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=C(C=C2C)OC)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=C(C=C2C)OC)C

InChI

InChI=1S/C18H27NO3/c1-5-22-18(20)15-7-6-8-19(11-15)12-16-9-14(3)17(21-4)10-13(16)2/h9-10,15H,5-8,11-12H2,1-4H3/p+1/t15-/m0/s1