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2-(4-methylmorpholin-4-ium-4-yl)ethyl 4-pyren-1-ylbutanoate

2-(4-methylmorpholin-4-ium-4-yl)ethyl 4-pyren-1-ylbutanoate

Systemtic Name:2-(4-methylmorpholin-4-ium-4-yl)ethyl 4-pyren-1-ylbutanoate
Openeye Name:2-(4-methylmorpholin-4-ium-4-yl)ethyl 4-pyren-1-ylbutanoate
CAS Name:4-(1-pyrenyl)butanoic acid 2-(4-methyl-4-morpholin-4-iumyl)ethyl ester
IUPAC Name:2-(4-methylmorpholin-4-ium-4-yl)ethyl 4-pyren-1-ylbutanoate
Traditional Name:4-pyren-1-ylbutyric acid 2-(4-methylmorpholin-4-ium-4-yl)ethyl ester
Formula: C27H30NO3+
MolecularWeight: 416.532
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CCOC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2


Isomeric SMILES

C[N+]1(CCOCC1)CCOC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2


InChI

InChI=1S/C27H30NO3/c1-28(14-17-30-18-15-28)16-19-31-25(29)7-3-4-20-8-9-23-11-10-21-5-2-6-22-12-13-24(20)27(23)26(21)22/h2,5-6,8-13H,3-4,7,14-19H2,1H3/q+1


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