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4-pyridin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxy-benzoate

4-pyridin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxy-benzoate

Systemtic Name:4-pyridin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxy-benzoate
Openeye Name:4-pyridin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxy-benzoate
CAS Name:4-hexoxy-3,5-dimethoxybenzoic acid 4-(1-pyridin-1-iumyl)butyl ester
IUPAC Name:4-pyridin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxybenzoate
Traditional Name:4-hexoxy-3,5-dimethoxy-benzoic acid 4-pyridin-1-ium-1-ylbutyl ester
Formula: C24H34NO5+
MolecularWeight: 416.53046
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCCC[N+]2=CC=CC=C2)OC


Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCCC[N+]2=CC=CC=C2)OC


InChI

InChI=1S/C24H34NO5/c1-4-5-6-11-16-29-23-21(27-2)18-20(19-22(23)28-3)24(26)30-17-12-10-15-25-13-8-7-9-14-25/h7-9,13-14,18-19H,4-6,10-12,15-17H2,1-3H3/q+1


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