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

Systemtic Name: 2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl nonanoate Openeye Name: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl nonanoate CAS Name: nonanoic acid 2-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]ethyl ester IUPAC Name: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl nonanoate Traditional Name: pelargonic acid 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl ester Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-2-3-4-5-6-8-11-18(22)23-15-12-19-17(21)16-20-13-9-7-10-14-20/h7,9-10,13-14H,2-6,8,11-12,15-16H2,1H3/p+1