2-[methanoyl(2-pyridin-1-ium-1-ylethyl)amino]oxy-N-methyl-4-octadecoxy-butanamide chloride

Systemtic Name: 2-[methanoyl(2-pyridin-1-ium-1-ylethyl)amino]oxy-N-methyl-4-octadecoxy-butanamide chloride Openeye Name: 2-[formyl(2-pyridin-1-ium-1-ylethyl)amino]oxy-N-methyl-4-octadecoxy-butanamide chloride CAS Name: 2-[formyl-[2-(1-pyridin-1-iumyl)ethyl]amino]oxy-N-methyl-4-octadecoxybutanamide chloride IUPAC Name: 2-[formyl(2-pyridin-1-ium-1-ylethyl)amino]oxy-N-methyl-4-octadecoxybutanamide chloride Traditional Name: 2-[formyl(2-pyridin-1-ium-1-ylethyl)amino]oxy-N-methyl-4-stearyloxy-butyramide chloride Formula: C31H56ClN3O4 MolecularWeight: 570.24704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCC(C(=O)NC)ON(CC[N+]1=CC=CC=C1)C=O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCC(C(=O)NC)ON(CC[N+]1=CC=CC=C1)C=O.[Cl-]

InChI

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