1-(1-octadecoxypropylcarbamoyloxy)propyl 1-(aminomethyl)pyridin-1-ium-2-carboxylate

Systemtic Name: 1-(1-octadecoxypropylcarbamoyloxy)propyl 1-(aminomethyl)pyridin-1-ium-2-carboxylate Openeye Name: 1-(1-octadecoxypropylcarbamoyloxy)propyl 1-(aminomethyl)pyridin-1-ium-2-carboxylate CAS Name: 1-(aminomethyl)-2-pyridin-1-iumcarboxylic acid 1-[(1-octadecoxypropylamino)-oxomethoxy]propyl ester IUPAC Name: 1-(1-octadecoxypropylcarbamoyloxy)propyl 1-(aminomethyl)pyridin-1-ium-2-carboxylate Traditional Name: 1-(aminomethyl)pyridin-1-ium-2-carboxylic acid 1-(1-stearyloxypropylcarbamoyloxy)propyl ester Formula: C32H58N3O5+ MolecularWeight: 564.82002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H57N3O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-38-29(5-2)34-32(37)40-30(6-3)39-31(36)28-24-21-22-25-35(28)27-33/h21-22,24-25,29-30H,4-20,23,26-27,33H2,1-3H3/p+1