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

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

Systemtic Name:4-quinolin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxy-benzoate
Openeye Name:4-quinolin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxy-benzoate
CAS Name:4-hexoxy-3,5-dimethoxybenzoic acid 4-(1-quinolin-1-iumyl)butyl ester
IUPAC Name:4-quinolin-1-ium-1-ylbutyl 4-hexoxy-3,5-dimethoxybenzoate
Traditional Name:4-hexoxy-3,5-dimethoxy-benzoic acid 4-quinolin-1-ium-1-ylbutyl ester
Formula: C28H36NO5+
MolecularWeight: 466.58914
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCCC[N+]2=CC=CC3=CC=CC=C32)OC


Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1OC)C(=O)OCCCC[N+]2=CC=CC3=CC=CC=C32)OC


InChI

InChI=1S/C28H36NO5/c1-4-5-6-10-18-33-27-25(31-2)20-23(21-26(27)32-3)28(30)34-19-11-9-16-29-17-12-14-22-13-7-8-15-24(22)29/h7-8,12-15,17,20-21H,4-6,9-11,16,18-19H2,1-3H3/q+1


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