(3-octadecoxy-2-phenylmethoxy-propyl) 4-pyridin-1-ium-1-ylbutanoate

Systemtic Name: (3-octadecoxy-2-phenylmethoxy-propyl) 4-pyridin-1-ium-1-ylbutanoate Openeye Name: (2-benzyloxy-3-octadecoxy-propyl) 4-pyridin-1-ium-1-ylbutanoate CAS Name: 4-(1-pyridin-1-iumyl)butanoic acid (3-octadecoxy-2-phenylmethoxypropyl) ester IUPAC Name: (3-octadecoxy-2-phenylmethoxypropyl) 4-pyridin-1-ium-1-ylbutanoate Traditional Name: 4-pyridin-1-ium-1-ylbutyric acid (2-benzoxy-3-stearyloxy-propyl) ester Formula: C37H60NO4+ MolecularWeight: 582.8766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC[N+]1=CC=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC[N+]1=CC=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C37H60NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-31-40-33-36(41-32-35-25-19-17-20-26-35)34-42-37(39)27-24-30-38-28-21-18-22-29-38/h17-22,25-26,28-29,36H,2-16,23-24,27,30-34H2,1H3/q+1