3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propyl N-methyl-N-octadecyl-carbamate

Systemtic Name: 3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propyl N-methyl-N-octadecyl-carbamate Openeye Name: 3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propyl N-methyl-N-octadecyl-carbamate CAS Name: N-methyl-N-octadecylcarbamic acid 3-[oxo-[2-(1-pyridin-1-iumyl)ethylamino]methoxy]propyl ester IUPAC Name: 3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propyl N-methyl-N-octadecylcarbamate Traditional Name: N-methyl-N-stearyl-carbamic acid 3-(2-pyridin-1-ium-1-ylethylcarbamoyloxy)propyl ester Formula: C31H56N3O4+ MolecularWeight: 534.79404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCCCOC(=O)NCC[N+]1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C(=O)OCCCOC(=O)NCC[N+]1=CC=CC=C1

InChI

InChI=1S/C31H55N3O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-33(2)31(36)38-29-22-28-37-30(35)32-23-27-34-25-20-18-21-26-34/h18,20-21,25-26H,3-17,19,22-24,27-29H2,1-2H3/p+1