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

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) 2-(quinolin-1-ium-1-ylmethyl)benzoate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) 2-(quinolin-1-ium-1-ylmethyl)benzoate CAS Name: 2-(1-quinolin-1-iumylmethyl)benzoic acid (3-hexadecoxy-2-methoxypropyl) ester IUPAC Name: (3-hexadecoxy-2-methoxypropyl) 2-(quinolin-1-ium-1-ylmethyl)benzoate Traditional Name: 2-(quinolin-1-ium-1-ylmethyl)benzoic acid (3-cetyloxy-2-methoxy-propyl) ester Formula: C37H54NO4+ MolecularWeight: 576.82896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H54NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-41-30-34(40-2)31-42-37(39)35-25-18-16-23-33(35)29-38-27-21-24-32-22-17-19-26-36(32)38/h16-19,21-27,34H,3-15,20,28-31H2,1-2H3/q+1