ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(oxan-4-yl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(oxan-4-yl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-tetrahydropyran-4-yl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-[(3-methoxyphenyl)methyl]-1-(4-oxanyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(oxan-4-yl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-m-anisyl-1-tetrahydropyran-4-yl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H32NO4+ MolecularWeight: 362.48308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)C2CCOCC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)C2CCOCC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H31NO4/c1-3-26-20(23)21(15-17-6-4-7-19(14-17)24-2)10-5-11-22(16-21)18-8-12-25-13-9-18/h4,6-7,14,18H,3,5,8-13,15-16H2,1-2H3/p+1/t21-/m0/s1