(2-methoxy-3-octadecoxy-propyl) 4-(quinolin-1-ium-1-ylmethyl)benzoate

Systemtic Name: (2-methoxy-3-octadecoxy-propyl) 4-(quinolin-1-ium-1-ylmethyl)benzoate Openeye Name: (2-methoxy-3-octadecoxy-propyl) 4-(quinolin-1-ium-1-ylmethyl)benzoate CAS Name: 4-(1-quinolin-1-iumylmethyl)benzoic acid (2-methoxy-3-octadecoxypropyl) ester IUPAC Name: (2-methoxy-3-octadecoxypropyl) 4-(quinolin-1-ium-1-ylmethyl)benzoate Traditional Name: 4-(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=C(C=C1)C[N+]2=CC=CC3=CC=CC=C32)OC

Isomeric SMILES

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

InChI

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