ethyl (3R)-1-[(4-hexoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(4-hexoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(4-hexoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(4-hexoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(4-hexoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(4-hexoxybenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H34NO3+ MolecularWeight: 348.49956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C[NH+]2CCC[C@H](C2)C(=O)OCC

InChI

InChI=1S/C21H33NO3/c1-3-5-6-7-15-25-20-12-10-18(11-13-20)16-22-14-8-9-19(17-22)21(23)24-4-2/h10-13,19H,3-9,14-17H2,1-2H3/p+1/t19-/m1/s1