1-hexadecylpyridin-1-ium-3-sulfonic acid

Systemtic Name: 1-hexadecylpyridin-1-ium-3-sulfonic acid Openeye Name: 1-hexadecylpyridin-1-ium-3-sulfonic acid CAS Name: 1-hexadecyl-3-pyridin-1-iumsulfonic acid IUPAC Name: 1-hexadecylpyridin-1-ium-3-sulfonic acid Traditional Name: 1-cetylpyridin-1-ium-3-sulfonic acid Formula: C21H38NO3S+ MolecularWeight: 384.59632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19-16-17-21(20-22)26(23,24)25/h16-17,19-20H,2-15,18H2,1H3/p+1