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

Systemtic Name: ethyl (3S)-1-[[3-(4-chloranylphenoxy)phenyl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[3-(4-chlorophenoxy)phenyl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[3-(4-chlorophenoxy)benzyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H25ClNO3+ MolecularWeight: 374.8811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClNO3/c1-2-25-21(24)17-6-4-12-23(15-17)14-16-5-3-7-20(13-16)26-19-10-8-18(22)9-11-19/h3,5,7-11,13,17H,2,4,6,12,14-15H2,1H3/p+1/t17-/m0/s1