2-[12-(1-hexadecylpyridin-1-ium-3-yl)dodecanoyloxy]benzoate

Systemtic Name: 2-[12-(1-hexadecylpyridin-1-ium-3-yl)dodecanoyloxy]benzoate Openeye Name: 2-[12-(1-hexadecylpyridin-1-ium-3-yl)dodecanoyloxy]benzoate CAS Name: 2-[12-(1-hexadecyl-3-pyridin-1-iumyl)-1-oxododecoxy]benzoate IUPAC Name: 2-[12-(1-hexadecylpyridin-1-ium-3-yl)dodecanoyloxy]benzoate Traditional Name: 2-[12-(1-cetylpyridin-1-ium-3-yl)dodecanoyloxy]benzoate Formula: C40H63NO4 MolecularWeight: 621.93252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)CCCCCCCCCCCC(=O)OC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)CCCCCCCCCCCC(=O)OC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C40H63NO4/c1-2-3-4-5-6-7-8-9-10-11-15-18-21-26-33-41-34-27-29-36(35-41)28-22-19-16-13-12-14-17-20-23-32-39(42)45-38-31-25-24-30-37(38)40(43)44/h24-25,27,29-31,34-35H,2-23,26,28,32-33H2,1H3