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8-pyridin-1-ium-1-yloctyl (2S)-2-phenylpropanoate

8-pyridin-1-ium-1-yloctyl (2S)-2-phenylpropanoate

Systemtic Name:8-pyridin-1-ium-1-yloctyl (2S)-2-phenylpropanoate
Openeye Name:8-pyridin-1-ium-1-yloctyl (2S)-2-phenylpropanoate
CAS Name:(2S)-2-phenylpropanoic acid 8-(1-pyridin-1-iumyl)octyl ester
IUPAC Name:8-pyridin-1-ium-1-yloctyl (2S)-2-phenylpropanoate
Traditional Name:(2S)-2-phenylpropionic acid 8-pyridin-1-ium-1-yloctyl ester
Formula: C22H30NO2+
MolecularWeight: 340.4791
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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)OCCCCCCCC[N+]2=CC=CC=C2


Isomeric SMILES

C[C@@H](C1=CC=CC=C1)C(=O)OCCCCCCCC[N+]2=CC=CC=C2


InChI

InChI=1S/C22H30NO2/c1-20(21-14-8-6-9-15-21)22(24)25-19-13-5-3-2-4-10-16-23-17-11-7-12-18-23/h6-9,11-12,14-15,17-18,20H,2-5,10,13,16,19H2,1H3/q+1/t20-/m0/s1


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