2,2-bis(2-pyridin-1-ium-1-ylethanoyloxymethyl)hexadecyl 2-pyridin-1-ium-1-ylethanoate

Systemtic Name: 2,2-bis(2-pyridin-1-ium-1-ylethanoyloxymethyl)hexadecyl 2-pyridin-1-ium-1-ylethanoate Openeye Name: 2,2-bis[(2-pyridin-1-ium-1-ylacetyl)oxymethyl]hexadecyl 2-pyridin-1-ium-1-ylacetate CAS Name: 2-(1-pyridin-1-iumyl)acetic acid 2,2-bis[[1-oxo-2-(1-pyridin-1-iumyl)ethoxy]methyl]hexadecyl ester IUPAC Name: 2,2-bis[(2-pyridin-1-ium-1-ylacetyl)oxymethyl]hexadecyl 2-pyridin-1-ium-1-ylacetate Traditional Name: 2-pyridin-1-ium-1-ylacetic acid 2,2-bis[(2-pyridin-1-ium-1-ylacetyl)oxymethyl]hexadecyl ester Formula: C39H56N3O6+3 MolecularWeight: 662.87844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(COC(=O)C[N+]1=CC=CC=C1)(COC(=O)C[N+]2=CC=CC=C2)COC(=O)C[N+]3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCC(COC(=O)C[N+]1=CC=CC=C1)(COC(=O)C[N+]2=CC=CC=C2)COC(=O)C[N+]3=CC=CC=C3

InChI

InChI=1S/C39H56N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-39(33-46-36(43)30-40-24-17-13-18-25-40,34-47-37(44)31-41-26-19-14-20-27-41)35-48-38(45)32-42-28-21-15-22-29-42/h13-15,17-22,24-29H,2-12,16,23,30-35H2,1H3/q+3