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

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

Systemtic Name:ethyl (3R)-1-[(4-phenylphenyl)methyl]piperidin-1-ium-3-carboxylate
Openeye Name:ethyl (3R)-1-[(4-phenylphenyl)methyl]piperidin-1-ium-3-carboxylate
CAS Name:(3R)-1-[(4-phenylphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester
IUPAC Name:ethyl (3R)-1-[(4-phenylphenyl)methyl]piperidin-1-ium-3-carboxylate
Traditional Name:(3R)-1-(4-phenylbenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester
Formula: C21H26NO2+
MolecularWeight: 324.43664
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3


Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3


InChI

InChI=1S/C21H25NO2/c1-2-24-21(23)20-9-6-14-22(16-20)15-17-10-12-19(13-11-17)18-7-4-3-5-8-18/h3-5,7-8,10-13,20H,2,6,9,14-16H2,1H3/p+1/t20-/m1/s1


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