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carboxymethyl-(2-methyl-1-phenyl-prop-2-enyl)-dioctyl-azanium

carboxymethyl-(2-methyl-1-phenyl-prop-2-enyl)-dioctyl-azanium

Systemtic Name:carboxymethyl-(2-methyl-1-phenyl-prop-2-enyl)-dioctyl-azanium
Openeye Name:carboxymethyl-(2-methyl-1-phenyl-allyl)-dioctyl-ammonium
CAS Name:carboxymethyl-(2-methyl-1-phenylprop-2-enyl)-dioctylammonium
IUPAC Name:carboxymethyl-(2-methyl-1-phenylprop-2-enyl)-dioctylazanium
Traditional Name:carboxymethyl-(2-methyl-1-phenyl-allyl)-dioctyl-ammonium
Formula: C28H48NO2+
MolecularWeight: 430.68622
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(CC(=O)O)C(C1=CC=CC=C1)C(=C)C


Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(CC(=O)O)C(C1=CC=CC=C1)C(=C)C


InChI

InChI=1S/C28H47NO2/c1-5-7-9-11-13-18-22-29(24-27(30)31,23-19-14-12-10-8-6-2)28(25(3)4)26-20-16-15-17-21-26/h15-17,20-21,28H,3,5-14,18-19,22-24H2,1-2,4H3/p+1


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