3,3-bis[2-(2-pyridin-1-ium-1-ylethanoyloxy)ethyl]heptadecyl 2-pyridin-1-ium-1-ylethanoate

Systemtic Name: 3,3-bis[2-(2-pyridin-1-ium-1-ylethanoyloxy)ethyl]heptadecyl 2-pyridin-1-ium-1-ylethanoate Openeye Name: 3,3-bis[2-(2-pyridin-1-ium-1-ylacetyl)oxyethyl]heptadecyl 2-pyridin-1-ium-1-ylacetate CAS Name: 2-(1-pyridin-1-iumyl)acetic acid 3,3-bis[2-[1-oxo-2-(1-pyridin-1-iumyl)ethoxy]ethyl]heptadecyl ester IUPAC Name: 3,3-bis[2-(2-pyridin-1-ium-1-ylacetyl)oxyethyl]heptadecyl 2-pyridin-1-ium-1-ylacetate Traditional Name: 2-pyridin-1-ium-1-ylacetic acid 3,3-bis[2-(2-pyridin-1-ium-1-ylacetyl)oxyethyl]heptadecyl ester Formula: C42H62N3O6+3 MolecularWeight: 704.95818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H62N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-42(24-33-49-39(46)36-43-27-17-13-18-28-43,25-34-50-40(47)37-44-29-19-14-20-30-44)26-35-51-41(48)38-45-31-21-15-22-32-45/h13-15,17-22,27-32H,2-12,16,23-26,33-38H2,1H3/q+3