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ethyl (3S)-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

ethyl (3S)-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name:ethyl (3S)-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate
Openeye Name:ethyl (3S)-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate
CAS Name:(3S)-1-[(4-ethoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester
IUPAC Name:ethyl (3S)-1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-3-carboxylate
Traditional Name:(3S)-1-(4-ethoxybenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester
Formula: C17H26NO3+
MolecularWeight: 292.39324
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H25NO3/c1-3-20-16-9-7-14(8-10-16)12-18-11-5-6-15(13-18)17(19)21-4-2/h7-10,15H,3-6,11-13H2,1-2H3/p+1/t15-/m0/s1


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