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1-methyl-1-[(4-octadecoxyphenyl)methyl]-2,3-dihydropyrrol-1-ium

1-methyl-1-[(4-octadecoxyphenyl)methyl]-2,3-dihydropyrrol-1-ium

Systemtic Name:1-methyl-1-[(4-octadecoxyphenyl)methyl]-2,3-dihydropyrrol-1-ium
Openeye Name:1-methyl-1-[(4-octadecoxyphenyl)methyl]-2,3-dihydropyrrol-1-ium
CAS Name:1-methyl-1-[(4-octadecoxyphenyl)methyl]-2,3-dihydropyrrol-1-ium
IUPAC Name:1-methyl-1-[(4-octadecoxyphenyl)methyl]-2,3-dihydropyrrol-1-ium
Traditional Name:1-methyl-1-(4-stearyloxybenzyl)-2-pyrrolin-1-ium
Formula: C30H52NO+
MolecularWeight: 442.73998
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C[N+]2(CCC=C2)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C[N+]2(CCC=C2)C


InChI

InChI=1S/C30H52NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-32-30-23-21-29(22-24-30)28-31(2)25-18-19-26-31/h18,21-25H,3-17,19-20,26-28H2,1-2H3/q+1


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