[2-(methylcarbamoyloxy)-3-octadecoxy-propyl] 4-pyridin-1-ium-1-ylbutanoate

Systemtic Name: [2-(methylcarbamoyloxy)-3-octadecoxy-propyl] 4-pyridin-1-ium-1-ylbutanoate Openeye Name: [2-(methylcarbamoyloxy)-3-octadecoxy-propyl] 4-pyridin-1-ium-1-ylbutanoate CAS Name: 4-(1-pyridin-1-iumyl)butanoic acid [2-(methylcarbamoyloxy)-3-octadecoxypropyl] ester IUPAC Name: [2-(methylcarbamoyloxy)-3-octadecoxypropyl] 4-pyridin-1-ium-1-ylbutanoate Traditional Name: 4-pyridin-1-ium-1-ylbutyric acid [2-(methylcarbamoyloxy)-3-stearyloxy-propyl] ester Formula: C32H57N2O5+ MolecularWeight: 549.80538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC[N+]1=CC=CC=C1)OC(=O)NC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCC[N+]1=CC=CC=C1)OC(=O)NC

InChI

InChI=1S/C32H56N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-37-28-30(39-32(36)33-2)29-38-31(35)23-22-26-34-24-19-18-20-25-34/h18-20,24-25,30H,3-17,21-23,26-29H2,1-2H3/p+1