[1-(methylcarbamoyloxy)-3-octadecoxy-propyl] 2-(1-methylimidazol-1-ium-1-yl)butanoate

Systemtic Name: [1-(methylcarbamoyloxy)-3-octadecoxy-propyl] 2-(1-methylimidazol-1-ium-1-yl)butanoate Openeye Name: [1-(methylcarbamoyloxy)-3-octadecoxy-propyl] 2-(1-methylimidazol-1-ium-1-yl)butanoate CAS Name: 2-(1-methyl-1-imidazol-1-iumyl)butanoic acid [1-(methylcarbamoyloxy)-3-octadecoxypropyl] ester IUPAC Name: [1-(methylcarbamoyloxy)-3-octadecoxypropyl] 2-(1-methylimidazol-1-ium-1-yl)butanoate Traditional Name: 2-(1-methylimidazol-1-ium-1-yl)butyric acid [1-(methylcarbamoyloxy)-3-stearyloxy-propyl] ester Formula: C31H58N3O5+ MolecularWeight: 552.80932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCC(OC(=O)C(CC)[N+]1(C=CN=C1)C)OC(=O)NC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCC(OC(=O)C(CC)[N+]1(C=CN=C1)C)OC(=O)NC

InChI

InChI=1S/C31H57N3O5/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-37-26-22-29(39-31(36)32-3)38-30(35)28(6-2)34(4)24-23-33-27-34/h23-24,27-29H,5-22,25-26H2,1-4H3/p+1