N,N-diethyl-1-hexadecyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N,N-diethyl-1-hexadecyl-pyridin-1-ium-3-carboxamide Openeye Name: N,N-diethyl-1-hexadecyl-pyridin-1-ium-3-carboxamide CAS Name: N,N-diethyl-1-hexadecyl-3-pyridin-1-iumcarboxamide IUPAC Name: N,N-diethyl-1-hexadecylpyridin-1-ium-3-carboxamide Traditional Name: 1-cetyl-N,N-diethyl-pyridin-1-ium-3-carboxamide Formula: C26H47N2O+ MolecularWeight: 403.66418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27-23-20-21-25(24-27)26(29)28(5-2)6-3/h20-21,23-24H,4-19,22H2,1-3H3/q+1