2-[carboxymethyl-[2-(3-octadecoxyphenoxy)-1-propyl-pyridin-1-ium-3-yl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-(3-octadecoxyphenoxy)-1-propyl-pyridin-1-ium-3-yl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-(3-octadecoxyphenoxy)-1-propyl-pyridin-1-ium-3-yl]amino]acetic acid CAS Name: 2-[carboxymethyl-[2-(3-octadecoxyphenoxy)-1-propyl-3-pyridin-1-iumyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-(3-octadecoxyphenoxy)-1-propylpyridin-1-ium-3-yl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[1-propyl-2-(3-stearyloxyphenoxy)pyridin-1-ium-3-yl]amino]acetic acid Formula: C36H57N2O6+ MolecularWeight: 613.84758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)OC2=C(C=CC=[N+]2CCC)N(CC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1)OC2=C(C=CC=[N+]2CCC)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C36H56N2O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27-43-31-22-20-23-32(28-31)44-36-33(24-21-26-37(36)25-4-2)38(29-34(39)40)30-35(41)42/h20-24,26,28H,3-19,25,27,29-30H2,1-2H3,(H-,39,40,41,42)/p+1