2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl octanoate

Systemtic Name: 2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl octanoate Openeye Name: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl octanoate CAS Name: octanoic acid 2-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]ethyl ester IUPAC Name: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl octanoate Traditional Name: caprylic acid 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl ester Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1

Isomeric SMILES

CCCCCCCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1

InChI

InChI=1S/C17H26N2O3/c1-2-3-4-5-7-10-17(21)22-14-11-18-16(20)15-19-12-8-6-9-13-19/h6,8-9,12-13H,2-5,7,10-11,14-15H2,1H3/p+1