(3-hexadecoxy-2-methoxy-propyl) 4-(pyridin-1-ium-1-ylmethyl)benzoate

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) 4-(pyridin-1-ium-1-ylmethyl)benzoate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) 4-(pyridin-1-ium-1-ylmethyl)benzoate CAS Name: 4-(1-pyridin-1-iumylmethyl)benzoic acid (3-hexadecoxy-2-methoxypropyl) ester IUPAC Name: (3-hexadecoxy-2-methoxypropyl) 4-(pyridin-1-ium-1-ylmethyl)benzoate Traditional Name: 4-(pyridin-1-ium-1-ylmethyl)benzoic acid (3-cetyloxy-2-methoxy-propyl) ester Formula: C33H52NO4+ MolecularWeight: 526.77028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC=C(C=C1)C[N+]2=CC=CC=C2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COC(=O)C1=CC=C(C=C1)C[N+]2=CC=CC=C2)OC

InChI

InChI=1S/C33H52NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-37-28-32(36-2)29-38-33(35)31-22-20-30(21-23-31)27-34-24-17-16-18-25-34/h16-18,20-25,32H,3-15,19,26-29H2,1-2H3/q+1