ethyl (3R)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(3-ethoxy-4-methoxy-benzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28NO4+ MolecularWeight: 322.41922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCC(C2)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[C@H](C2)C(=O)OCC)OC

InChI

InChI=1S/C18H27NO4/c1-4-22-17-11-14(8-9-16(17)21-3)12-19-10-6-7-15(13-19)18(20)23-5-2/h8-9,11,15H,4-7,10,12-13H2,1-3H3/p+1/t15-/m1/s1