(2-ethoxy-3-hexadecoxy-propyl) 3-(pyridin-1-ium-1-ylmethyl)benzoate

Systemtic Name: (2-ethoxy-3-hexadecoxy-propyl) 3-(pyridin-1-ium-1-ylmethyl)benzoate Openeye Name: (2-ethoxy-3-hexadecoxy-propyl) 3-(pyridin-1-ium-1-ylmethyl)benzoate CAS Name: 3-(1-pyridin-1-iumylmethyl)benzoic acid (2-ethoxy-3-hexadecoxypropyl) ester IUPAC Name: (2-ethoxy-3-hexadecoxypropyl) 3-(pyridin-1-ium-1-ylmethyl)benzoate Traditional Name: 3-(pyridin-1-ium-1-ylmethyl)benzoic acid (3-cetyloxy-2-ethoxy-propyl) ester Formula: C34H54NO4+ MolecularWeight: 540.79686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC(=CC=C1)C[N+]2=CC=CC=C2)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC(=CC=C1)C[N+]2=CC=CC=C2)OCC

InChI

InChI=1S/C34H54NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-26-37-29-33(38-4-2)30-39-34(36)32-23-21-22-31(27-32)28-35-24-18-17-19-25-35/h17-19,21-25,27,33H,3-16,20,26,28-30H2,1-2H3/q+1