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

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) 3-(pyrazin-1-ium-1-ylmethyl)benzoate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) 3-(pyrazin-1-ium-1-ylmethyl)benzoate CAS Name: 3-(1-pyrazin-1-iumylmethyl)benzoic acid (3-hexadecoxy-2-methoxypropyl) ester IUPAC Name: (3-hexadecoxy-2-methoxypropyl) 3-(pyrazin-1-ium-1-ylmethyl)benzoate Traditional Name: 3-(pyrazin-1-ium-1-ylmethyl)benzoic acid (3-cetyloxy-2-methoxy-propyl) ester Formula: C32H51N2O4+ MolecularWeight: 527.75834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H51N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-37-27-31(36-2)28-38-32(35)30-19-17-18-29(25-30)26-34-22-20-33-21-23-34/h17-23,25,31H,3-16,24,26-28H2,1-2H3/q+1