(2-methoxy-3-octadecoxy-propyl) 2-(quinolin-1-ium-1-ylmethyl)benzoate

Systemtic Name: (2-methoxy-3-octadecoxy-propyl) 2-(quinolin-1-ium-1-ylmethyl)benzoate Openeye Name: (2-methoxy-3-octadecoxy-propyl) 2-(quinolin-1-ium-1-ylmethyl)benzoate CAS Name: 2-(1-quinolin-1-iumylmethyl)benzoic acid (2-methoxy-3-octadecoxypropyl) ester IUPAC Name: (2-methoxy-3-octadecoxypropyl) 2-(quinolin-1-ium-1-ylmethyl)benzoate Traditional Name: 2-(quinolin-1-ium-1-ylmethyl)benzoic acid (2-methoxy-3-stearyloxy-propyl) ester Formula: C39H58NO4+ MolecularWeight: 604.88212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC=CC=C1C[N+]2=CC=CC3=CC=CC=C32)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC=CC=C1C[N+]2=CC=CC3=CC=CC=C32)OC

InChI

InChI=1S/C39H58NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-43-32-36(42-2)33-44-39(41)37-27-20-18-25-35(37)31-40-29-23-26-34-24-19-21-28-38(34)40/h18-21,23-29,36H,3-17,22,30-33H2,1-2H3/q+1