2-(1-hexadecylpyridin-1-ium-4-yl)ethanesulfonic acid

Systemtic Name: 2-(1-hexadecylpyridin-1-ium-4-yl)ethanesulfonic acid Openeye Name: 2-(1-hexadecylpyridin-1-ium-4-yl)ethanesulfonic acid CAS Name: 2-(1-hexadecyl-4-pyridin-1-iumyl)ethanesulfonic acid IUPAC Name: 2-(1-hexadecylpyridin-1-ium-4-yl)ethanesulfonic acid Traditional Name: 2-(1-cetylpyridin-1-ium-4-yl)ethanesulfonic acid Formula: C23H42NO3S+ MolecularWeight: 412.64948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-20-16-23(17-21-24)18-22-28(25,26)27/h16-17,20-21H,2-15,18-19,22H2,1H3/p+1