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

Systemtic Name: N,N-diethyl-1-hexadecyl-pyridin-1-ium-3-carboxamide bromide Openeye Name: N,N-diethyl-1-hexadecyl-pyridin-1-ium-3-carboxamide bromide CAS Name: N,N-diethyl-1-hexadecyl-3-pyridin-1-iumcarboxamide bromide IUPAC Name: N,N-diethyl-1-hexadecylpyridin-1-ium-3-carboxamide bromide Traditional Name: 1-cetyl-N,N-diethyl-pyridin-1-ium-3-carboxamide bromide Formula: C26H47BrN2O MolecularWeight: 483.56818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47N2O.BrH/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;1H/q+1;/p-1