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8-pyridin-1-ium-1-yloctyl (3S)-3-phenylbutanoate

8-pyridin-1-ium-1-yloctyl (3S)-3-phenylbutanoate

Systemtic Name:8-pyridin-1-ium-1-yloctyl (3S)-3-phenylbutanoate
Openeye Name:8-pyridin-1-ium-1-yloctyl (3S)-3-phenylbutanoate
CAS Name:(3S)-3-phenylbutanoic acid 8-(1-pyridin-1-iumyl)octyl ester
IUPAC Name:8-pyridin-1-ium-1-yloctyl (3S)-3-phenylbutanoate
Traditional Name:(3S)-3-phenylbutyric acid 8-pyridin-1-ium-1-yloctyl ester
Formula: C23H32NO2+
MolecularWeight: 354.50568
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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCCCCCCCC[N+]1=CC=CC=C1)C2=CC=CC=C2


Isomeric SMILES

C[C@@H](CC(=O)OCCCCCCCC[N+]1=CC=CC=C1)C2=CC=CC=C2


InChI

InChI=1S/C23H32NO2/c1-21(22-14-8-6-9-15-22)20-23(25)26-19-13-5-3-2-4-10-16-24-17-11-7-12-18-24/h6-9,11-12,14-15,17-18,21H,2-5,10,13,16,19-20H2,1H3/q+1/t21-/m0/s1


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