(2-ethoxy-3-hexadecoxy-propyl) 4-(quinolin-1-ium-1-ylmethyl)benzoate

Systemtic Name: (2-ethoxy-3-hexadecoxy-propyl) 4-(quinolin-1-ium-1-ylmethyl)benzoate Openeye Name: (2-ethoxy-3-hexadecoxy-propyl) 4-(quinolin-1-ium-1-ylmethyl)benzoate CAS Name: 4-(1-quinolin-1-iumylmethyl)benzoic acid (2-ethoxy-3-hexadecoxypropyl) ester IUPAC Name: (2-ethoxy-3-hexadecoxypropyl) 4-(quinolin-1-ium-1-ylmethyl)benzoate Traditional Name: 4-(quinolin-1-ium-1-ylmethyl)benzoic acid (3-cetyloxy-2-ethoxy-propyl) ester Formula: C38H56NO4+ MolecularWeight: 590.85554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC=C(C=C1)C[N+]2=CC=CC3=CC=CC=C32)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC=C(C=C1)C[N+]2=CC=CC3=CC=CC=C32)OCC

InChI

InChI=1S/C38H56NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-29-41-31-36(42-4-2)32-43-38(40)35-26-24-33(25-27-35)30-39-28-20-22-34-21-17-18-23-37(34)39/h17-18,20-28,36H,3-16,19,29-32H2,1-2H3/q+1