(2-acetyloxy-3-pyridin-1-ium-1-yl-propyl) (Z)-octadec-9-enoate

Systemtic Name: (2-acetyloxy-3-pyridin-1-ium-1-yl-propyl) (Z)-octadec-9-enoate Openeye Name: (2-acetoxy-3-pyridin-1-ium-1-yl-propyl) (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [2-acetyloxy-3-(1-pyridin-1-iumyl)propyl] ester IUPAC Name: (2-acetyloxy-3-pyridin-1-ium-1-ylpropyl) (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid (2-acetoxy-3-pyridin-1-ium-1-yl-propyl) ester Formula: C28H46NO4+ MolecularWeight: 460.66914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(C[N+]1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+]1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C28H46NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-28(31)32-25-27(33-26(2)30)24-29-22-19-17-20-23-29/h10-11,17,19-20,22-23,27H,3-9,12-16,18,21,24-25H2,1-2H3/q+1/b11-10-