1-[1-(aminomethyl)pyridin-1-ium-2-yl]carbonyloxypropyl 4-octadecanoylpiperazine-1-carboxylate

Systemtic Name: 1-[1-(aminomethyl)pyridin-1-ium-2-yl]carbonyloxypropyl 4-octadecanoylpiperazine-1-carboxylate Openeye Name: 1-[1-(aminomethyl)pyridin-1-ium-2-carbonyl]oxypropyl 4-octadecanoylpiperazine-1-carboxylate CAS Name: 4-(1-oxooctadecyl)-1-piperazinecarboxylic acid 1-[[1-(aminomethyl)-2-pyridin-1-iumyl]-oxomethoxy]propyl ester IUPAC Name: 1-[1-(aminomethyl)pyridin-1-ium-2-carbonyl]oxypropyl 4-octadecanoylpiperazine-1-carboxylate Traditional Name: 4-stearoylpiperazine-1-carboxylic acid 1-[1-(aminomethyl)pyridin-1-ium-2-carbonyl]oxypropyl ester Formula: C33H57N4O5+ MolecularWeight: 589.82948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)OC(CC)OC(=O)C2=CC=CC=[N+]2CN

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)OC(CC)OC(=O)C2=CC=CC=[N+]2CN

InChI

InChI=1S/C33H57N4O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-30(38)35-24-26-36(27-25-35)33(40)42-31(4-2)41-32(39)29-21-19-20-23-37(29)28-34/h19-21,23,31H,3-18,22,24-28,34H2,1-2H3/q+1