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ethyl (3S)-1-[3-(3-chloranylphenoxy)propyl]piperidin-1-ium-3-carboxylate

ethyl (3S)-1-[3-(3-chloranylphenoxy)propyl]piperidin-1-ium-3-carboxylate

Systemtic Name:ethyl (3S)-1-[3-(3-chloranylphenoxy)propyl]piperidin-1-ium-3-carboxylate
Openeye Name:ethyl (3S)-1-[3-(3-chlorophenoxy)propyl]piperidin-1-ium-3-carboxylate
CAS Name:(3S)-1-[3-(3-chlorophenoxy)propyl]-3-piperidin-1-iumcarboxylic acid ethyl ester
IUPAC Name:ethyl (3S)-1-[3-(3-chlorophenoxy)propyl]piperidin-1-ium-3-carboxylate
Traditional Name:(3S)-1-[3-(3-chlorophenoxy)propyl]piperidin-1-ium-3-carboxylic acid ethyl ester
Formula: C17H25ClNO3+
MolecularWeight: 326.8383
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCCOC2=CC(=CC=C2)Cl


Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCCOC2=CC(=CC=C2)Cl


InChI

InChI=1S/C17H24ClNO3/c1-2-21-17(20)14-6-4-9-19(13-14)10-5-11-22-16-8-3-7-15(18)12-16/h3,7-8,12,14H,2,4-6,9-11,13H2,1H3/p+1/t14-/m0/s1


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